SCHEMBL5840142

SCHEMBL5840142

O=C(N[C@@H](Cn1cnc2c(Cl)ncnc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
FDPS P14324 1/20 0.47
PPARA Q07869 3/20 0.46
ITGB3 P05106 5/20 0.46
ITGAV P06756 5/20 0.46
FGFR1 P11362 8/20 0.45
FGFR4 P22455 8/20 0.45
DAPK1 P53355 1/20 0.44
PPARG P37231 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL6016455 0.89 HDAC6 (0.43) HDAC6FDPSPPARAITGB3ITGAV
SCHEMBL6016459 0.89 HDAC6 (0.43) HDAC6FDPSPPARAITGB3ITGAV
SCHEMBL6811091 0.82 ITGB3 (0.53) ITGB3ITGAV
SCHEMBL4640793 0.80 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL4640796 0.80 ITGB3 (0.47) ITGB3ITGAV
SCHEMBL4641583 0.80 ITGB3 (0.55) ITGB3ITGAV
SCHEMBL4640279 0.80 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL4640271 0.80 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL6807080 0.79 ITGB3 (0.40) PPARAITGB3ITGAVPPARG
SCHEMBL6804197 0.78 ITGB3 (0.47) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992187-B2 Process for the preparation of birthonectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-01-31 US disclosed
US-20040248907-A1 Process for the preparation of birthonectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-09 US disclosed
EP-1315728-B1 PROCESS FOR THE PREPARATION OF VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2004-10-27 EP disclosed
EP-1315728-A1 PROCESS FOR THE PREPARATION OF VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2003-06-04 EP disclosed
WO-2002018384-A1 PROCESS FOR THE PREPARATION OF VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-07 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 (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-20040248907-A1 Process for the preparation of birthonectin receptor antagonists NGFR, TNFSF11, NRP1 HDAC6 2586/4885FDPS 1413/4885PPARA 3030/4885

“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.