SCHEMBL1768682

SCHEMBL1768682

N[C@@H](CNS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.63
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
LARS1 Q9P2J5 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
KEAP1 Q14145 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASR P41180 1/20 0.48
TBXA2R P21731 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 1/20 0.46
GAA P10253 1/20 0.46
MMP12 P39900 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL383078 1.00 GBA1 (0.63) GBA1SLC1A3SLC1A2SLC1A1LARS1
Hydrochloric Acid SCHEMBL7662277 0.98 GBA1 (0.61) GBA1SLC1A3SLC1A2SLC1A1LARS1
Hydrochloric Acid SCHEMBL382132 0.98 GBA1 (0.61) GBA1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL1768631 0.87 SLC1A3 (0.55) GBA1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL27888805 0.87 SLC1A3 (0.55) GBA1SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL6739604 0.84 GBA1 (0.65) GBA1SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL6739598 0.84 GBA1 (0.65) GBA1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL13585322 0.83 ALDH1A1 (0.54) GBA1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL2235887 0.83 ALDH1A1 (0.54) GBA1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL1768570 0.82 CYP19A1 (0.54) GBA1MMP1CA2MMP2CA9

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
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-0896003-A1 Peptides for reducing or inhibiting bone resorption, angiogenesis and restenosis LA JOLLA CANCER RESEARCH FOUNDATION (US) 1999-02-10 EP disclosed
US-5858972-A CYCLIC PEPTIDE LA JOLLA CANCER RESEARCH FOUNDATION (US) 1999-01-12 US disclosed
EP-0873357-A2 ANTITHROMBOTIC AGENTS AND METHODS OF USE LA JOLLA CANCER RESEARCH FOUNDATION (US) 1998-10-28 EP disclosed
WO-1998016256-A1 MAGNETIC RESONANCE IMAGING OF THROMBI THE BURNHAM INSTITUTE (US) 1998-04-23 WO disclosed
WO-1997025343-A2 ANTITHROMBOTIC AGENTS AND METHODS OF USE LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-07-17 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 (4 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 GBA1 2366/4885SLC1A3 2993/4885SLC1A2 2826/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GBA1 2636/4885SLC1A3 748/4885SLC1A2 842/4885
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 GBA1 2767/4885SLC1A3 1301/4885SLC1A2 2993/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GBA1 2840/4885SLC1A3 634/4885SLC1A2 734/4885

“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.