SCHEMBL382432

SCHEMBL382432

COc1cc(C(=O)NC(CC(=O)O)NS(=O)(=O)c2ccccc2)ccc1N1CCC(NC2=NCCCN2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.76
ITGAV P06756 16/20 0.76
ITGA2B P08514 15/20 0.76
ITGB1 P05556 3/20 0.41
ITGB5 P18084 3/20 0.41
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL382529 0.95 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381996 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382329 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382754 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6499246 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381993 0.87 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL383052 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL383174 0.86 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382431 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30856547 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
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 claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
JP-2005194192-A (4-OXOPIPERIDIN-1-YL)BENZOIC ACID DERIVATIVE AND METHOD FOR PRODUCING INTEGRIN αvβ3 INHIBITOR USING THE SAME MEIJI SEIKA KAISHA LTD 2005-07-21 JP 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
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-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 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 (1 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 7/4885

“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.