Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4399599

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

nearest known ligand 0.60

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 19)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.41
REN known ✓ P00797 1/20 0.40
LAP3 P28838 5/20 0.60
ANPEP P15144 1/20 0.60
RNPEP Q9H4A4 1/20 0.60
DNPEP Q9ULA0 1/20 0.60
BACE1 P56817 1/20 0.44
LTA4H P09960 2/20 0.44
SLC15A1 P46059 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MMP2 P08253 2/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CTRB1 P17538 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
Hydrochloric Acid SCHEMBL21458020 1.00 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPBACE1
SCHEMBL5718333 0.84 LAP3 (0.65) LAP3ANPEPRNPEPDNPEPBACE1
Trifluoroacetic Acid SCHEMBL17106974 0.83 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPBACE1
Trifluoroacetic Acid SCHEMBL17106970 0.83 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPBACE1
Hydrochloric Acid SCHEMBL17595507 0.82 LAP3 (0.66) LAP3ANPEPRNPEPDNPEPBACE1
Hydrochloric Acid SCHEMBL3841335 0.81 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPLTA4H
Hydrochloric Acid SCHEMBL20474460 0.81 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPLTA4H
SCHEMBL7951029 0.81 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPBACE1
SCHEMBL17097365 0.81 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPBACE1
SCHEMBL20474481 0.80 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPLTA4H

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder OSAKA CITY UNIVERSITY (JP) 2023-12-19 US disclosed
EP-3466421-B1 COMPOSITION FOR THE TREATMENT OF PERIPHERAL NERVE DISORDERS UNIV OSAKA CITY (JP) 2022-11-30 EP disclosed
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 US disclosed
EP-3466421-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER Osaka City University (JP) 2019-04-10 EP disclosed
EP-2647386-B1 LISSENCEPHALY THERAPEUTIC AGENT UNIV OSAKA CITY (JP) 2018-09-05 EP disclosed
US-9539298-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2017-01-10 US disclosed
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT OSAKA CITY UNIVERSITY (JP) 2016-09-01 US disclosed
US-9371359-B2 Lissencephaly therapeutic agent OSAKA CITY UNIVERSITY (JP) 2016-06-21 US disclosed
CN-103282043-B Congenital agyria therapeutic agent OSAKA CITY UNIVERSITY (JP) 2015-09-30 CN disclosed
EP-2647386-A1 LISSENCEPHALY THERAPEUTIC AGENT Osaka City University (JP) 2013-10-09 EP disclosed
US-20130244945-A1 LISSENCEPHALY THERAPEUTIC AGENT OSAKA CITY UNIVERSITY 2013-09-19 US disclosed
US-7491705-B2 Alpha-ketoamide derivative, and production method and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20070004643-A1 Alpha-ketoamide derivative, and production method and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 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 (5 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-20130244945-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, ERH PTGS1 1591/4885REN 2236/4885LAP3 2942/4885
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF PTGS1 487/4885REN 2031/4885LAP3 4842/4885
US-20070004643-A1 Alpha-ketoamide derivative, and production method and use thereof CAPN1, CAPN2, CAPNS1 PTGS1 903/4885REN 529/4885LAP3 927/4885
US-20160250276-A1 LISSENCEPHALY THERAPEUTIC AGENT ASPH, DCX, P4HA1 PTGS1 1581/4885REN 2403/4885LAP3 2711/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF PTGS1 487/4885REN 2031/4885LAP3 4842/4885

“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.