Hydrochloric Acid

Hydrochloric Acid

SCHEMBL112927

COC(=O)CNCC(=O)OC.Cl

nearest known ligand 0.53

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
GAA known ✓ P10253 2/20 0.48
CA2 known ✓ P00918 1/20 0.36
TSHR P16473 5/20 0.53
TET2 Q6N021 1/20 0.50
RECQL P46063 1/20 0.48
HSD17B10 Q99714 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.38
EPHX2 P34913 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL73416 0.97 TSHR (0.56) TSHRTET2RECQLHSD17B10GAA
SCHEMBL1396293 0.91
Hydrochloric Acid SCHEMBL28087018 0.89 TSHR (0.50) TSHRTET2RECQLHSD17B10GAA
Hydrochloric Acid SCHEMBL2016633 0.86
Hydrochloric Acid SCHEMBL15855934 0.86 TSHR (0.46) TSHRTET2RECQLHSD17B10GAA
SCHEMBL2303378 0.86 TSHR (0.52) TSHRTET2RECQLHSD17B10GAA
SCHEMBL12329903 0.86 GAA (0.55) TSHRTET2RECQLHSD17B10GAA
SCHEMBL2361759 0.85 TSHR (0.50) TSHRTET2RECQLHSD17B10GAA
SCHEMBL5199404 0.84 TSHR (0.43) TSHRTET2RECQLHSD17B10GAA
SCHEMBL800951 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306663-A1 Metal Tricarbonyl Complexes Comprising Substituted Iminodiactic Acid Ligands and Uses as Radioisotope Tracers UNIV EMORY (US) 2022-09-29 US disclosed
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers EMORY UNIVERSITY (US) 2022-07-12 US disclosed
US-20210274789-A1 Antimicrobial Surface Treatment KODE BIOTECH LTD (NZ) 2021-09-09 US disclosed
CN-107847617-B Metal tricarbonyl complexes containing substituted iminodiacetic acid ligands and their use as radiotracers 爱默蕾大学 2021-08-31 CN disclosed
EP-3221337-B1 MULTIVALENT LIGAND-LIPID CONSTRUCTS BOVIN NICOLAI VLADIMIROVICH (RU) 2021-08-04 EP disclosed
CN-108463466-B Glycolipid compounds and their use in the treatment of tumors 艾佳尔免疫有限公司 2021-07-09 CN disclosed
US-20210139540-A1 MULTIVALENT LIGAND-LIPID CONSTRUCTS BOVIN NICOLAI VLADIMIROVICH (RU) 2021-05-13 US disclosed
US-10919941-B2 Functional lipid constructs KODE BIOTECH LIMITED (NZ) 2021-02-16 US disclosed
US-10781235-B2 Multivalent ligand-lipid constructs BOVIN NICOLAI VLADIMIROVICH (RU) 2020-09-22 US disclosed
CN-111320567-A Reactive light stabilizer compound and liquid crystal composition containing same 东进世美肯株式会社 2020-06-23 CN disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 WO disclosed
EP-2201025-A1 FUNCTIONAL LIPID CONSTRUCTS Bovin, Nicolai (RU) 2010-06-30 EP disclosed
WO-2010043230-A1 MULTILIGAND CONSTRUCTS BOVIN NIKOLAI VLADIMIROVICH (RU) 2010-04-22 WO disclosed
WO-2009048343-A1 FUNCTIONAL LIPID CONSTRUCTS BOVIN NICOLAI (RU) 2009-04-16 WO disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
EP-0835259-A1 IODINE-CONTAINING PEPTIDES AND THEIR USE AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1996040760-A2 IODINE-CONTAINING PEPTIDES AND THEIR USE AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-19 WO 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 (8 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-20210139540-A1 MULTIVALENT LIGAND-LIPID CONSTRUCTS PHOSPHO1, MGLL, LPAR6 GAA 3415/4885CA2 4337/4885TSHR 1851/4885
US-20220306663-A1 Metal Tricarbonyl Complexes Comprising Substituted Iminodiactic Acid Ligands and Uses as Radioisotope Tracers SLC16A8, S100A8, FGF23 GAA 1863/4885CA2 79/4885TSHR 338/4885
US-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 GAA 2877/4885CA2 5/4885TSHR 4075/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B GAA 2482/4885CA2 4210/4885TSHR 4299/4885
US-10919941-B2 Functional lipid constructs CETP, LCAT, LIPA GAA 1088/4885CA2 2207/4885TSHR 1794/4885
US-20210274789-A1 Antimicrobial Surface Treatment CD68, ARG1, CLTB GAA 737/4885CA2 3235/4885TSHR 2031/4885
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers SLC16A8, S100A8, FGF23 GAA 1863/4885CA2 79/4885TSHR 338/4885
US-10781235-B2 Multivalent ligand-lipid constructs PHOSPHO1, MGLL, LPAR6 GAA 3415/4885CA2 4337/4885TSHR 1851/4885

“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.