Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14760907

C=CCOC(=O)C[C@H](N)Cc1ccccc1.Cl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.42
DPP4 known ✓ P27487 1/20 0.41
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.44
SLC15A1 P46059 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 4/20 0.43
ALPI P09923 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRR Q9GZT4 1/20 0.42
MMP2 P08253 2/20 0.41
ANPEP P15144 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28812097 0.99 NPSR1 (0.47) NPSR1PKMSMN1; SMN2EPHX1SLC15A1
Hydrochloric Acid SCHEMBL15928827 0.82 SLC15A1 (0.62) PKMEPHX1SLC15A1ALPIPTGS1
Hydrochloric Acid SCHEMBL14119062 0.82 SLC15A1 (0.62) PKMEPHX1SLC15A1ALPIPTGS1
SCHEMBL7668299 0.81 SMN1; SMN2 (0.46) NPSR1PKMSMN1; SMN2CYP3A4CASP1
Hydrochloric Acid SCHEMBL29829201 0.81 SLC15A1 (0.48) NPSR1PKMSMN1; SMN2SLC15A1CYP3A4
SCHEMBL14119359 0.80 SLC15A1 (0.63) PKMEPHX1SLC15A1ALPIPTGS1
SCHEMBL28704585 0.80 SLC15A1 (0.63) PKMEPHX1SLC15A1ALPIPTGS1
SCHEMBL9857372 0.80 CASP1 (0.48) NPSR1PKMSMN1; SMN2EPHX1CYP3A4
SCHEMBL1646942 0.79 EPHX1 (0.50) PKMEPHX1SLC15A1ALPIPTGS1
SCHEMBL1692431 0.79 ALPI (0.56) NPSR1PKMSLC15A1CYP3A4CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110757-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY KING'S COLLEGE LONDON (GB) 2024-05-30 WO disclosed
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-04-11 US disclosed
US-20220195017-A1 PATHOGEN BINDING METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-06-23 US disclosed
US-11021709-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 US disclosed
US-20200362350-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-19 US disclosed
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-01-30 US disclosed
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-30 US disclosed
US-20190077850-A1 PATHOGEN BINDING METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-03-14 US disclosed
EP-2582715-B1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2018-11-28 EP disclosed
US-20180214472-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES, PVT. LTD. (IN) 2018-08-02 US disclosed
US-9593141-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-14 US disclosed
US-9315546-B2 Growth hormone secretatogue receptor antagonists and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-04-19 US disclosed
US-9243037-B2 Gramicidin a mutants that function as antibiotics with improved solubility and reduced toxicity TRUSTEES OF BOSTON COLLEGE (US) 2016-01-26 US disclosed
US-20150239936-A1 GRAMICIDIN A MUTANTS THAT FUNCTION AS ANTIBIOTICS WITH IMPROVED SOLUBILITY AND REDUCED TOXICITY TRUSTEES OF BOSTON COLLEGE 2015-08-27 US disclosed
US-20150218252-A1 SELF-ASSEMBLING PEPTIDES, PEPTIDE NANOSTRUCTURES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-08-06 US disclosed
US-20150111954-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US disclosed
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2014-12-11 US disclosed
US-8828928-B2 Amphiphilic peptides and peptide particles PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-09 US disclosed
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF MCGILL UNIVERSITY (CA) 2013-07-04 US disclosed
US-20130064895-A1 Amphiphilic Peptides and Peptide Particles PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180214472-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS XPO1, UGT1A1, UGT1A10 PTGS1 4242/4885DPP4 760/4885NPSR1 837/4885
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885NPSR1 1908/4885
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS XPO1, MTX1, FUT5 PTGS1 3943/4885DPP4 829/4885NPSR1 1041/4885
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885NPSR1 1908/4885
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF GHSR, GHRHR, GIPR PTGS1 972/4885DPP4 617/4885NPSR1 101/4885
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885NPSR1 1908/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.