SCHEMBL7052904

SCHEMBL7052904

O=C(N[C@@H](CNC(=O)c1ccc(N2CCCCC2Nc2ncccn2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.47
ITGA2B P08514 8/20 0.47
ITGAV P06756 13/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGB5 P18084 1/20 0.47
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL7463010 0.88 ITGAV (0.43) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7471267 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382408 0.85 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7048410 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7459020 0.81 ALDH1A1 (0.38) ITGB3ITGA2BITGAV
SCHEMBL7462236 0.81 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7049503 0.80 GRIN3B (0.39) ITGB3ITGA2BITGAV
SCHEMBL7651260 0.79 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL381774 0.79 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7650186 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 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 1/4885ITGA2B 7/4885ITGAV 2/4885

“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.