Hydrochloric Acid

Hydrochloric Acid

SCHEMBL333889

Cl.N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

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 13)

geneUniProtsupporting neighboursconfidence
ITGB3 known ✓ P05106 2/20 0.57
FOLH1 Q04609 2/20 0.58
SIRT2 Q8IXJ6 2/20 0.58
SIRT1 Q96EB6 1/20 0.58
ITGAV P06756 2/20 0.57
TGM2 P21980 9/20 0.53
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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 SCHEMBL333888 1.00 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Hydrochloric Acid SCHEMBL29401494 1.00 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL5145708 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL6768020 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL631840 0.99 FOLH1 (0.59) FOLH1SIRT2SIRT1ITGB3ITGAV
Water SCHEMBL7274005 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Water SCHEMBL7266301 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
Bromide SCHEMBL9221277 0.98 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL11411256 0.94 CTSL (0.56) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL9500591 0.92 SIRT2 (0.54) FOLH1SIRT2SIRT1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
WO-2006052201-A1 USE OF DERIVATIVES OF DIPEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MICROBIAL INFECTIONS NEOBIOTICS AB (SE) 2006-05-18 WO disclosed
US-5342970-A Hydrosoluble coumarin derivatives, their preparation and their use as an enzyme substrate or for the preparation of such substrates LABORATOIRES EUROBIO (FR) 1994-08-30 US disclosed
EP-0245981-B1 SIGNAL ENHANCEMENT IN IMMUNOASSAY BY MODULATION OF CHEMICAL CATALYSIS Becton, Dickinson and Company (US) 1991-09-11 EP disclosed
EP-0245981-A2 Signal enhancement in immunoassay by modulation of chemical catalysis Becton, Dickinson and Company (US) 1987-11-19 EP disclosed
EP-0137742-B1 PROCESS FOR PRODUCING ARGINYL-P-NITROANILIDE NITTO BOSEKI CO., LTD. (JP) 1986-09-17 EP disclosed
US-4564695-A Process for producing arginyl-p-nitroanilide NITTO BOSEKI CO., LTD. (JP) 1986-01-14 US disclosed
EP-0074761-B1 PEPTIDE-TYPE SUBSTRATES USEFUL IN THE QUANTITATIVE DETERMINATION OF ENDOTOXIN WHITTAKER CORPORATION (US) 1985-12-27 EP disclosed
EP-0137742-A1 Process for producing arginyl-p-nitroanilide NITTO BOSEKI CO., LTD. (JP) 1985-04-17 EP disclosed
EP-0074761-A1 Peptide-type substrates useful in the quantitative determination of endotoxin WHITTAKER CORPORATION (US) 1983-03-23 EP disclosed
EP-0000063-A1 Dipeptide derivatives of 7-(N-alpha-substituted or non-substituted X-arginyl)-amino-4-methyl-coumarin AJINOMOTO CO., INC. (JP) 1978-12-20 EP 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 (3 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-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD ITGB3 4336/4885FOLH1 566/4885SIRT2 2617/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 ITGB3 2792/4885FOLH1 2573/4885SIRT2 4392/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 ITGB3 3027/4885FOLH1 4588/4885SIRT2 2363/4885

“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.