SCHEMBL2013431

SCHEMBL2013431

CCCc1c(OCC(=O)OCc2ccccc2)ccc(C(=O)CN2Cc3cc(C(=N)SC)ccc3C2=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CYSLTR1 Q9Y271 11/20 0.36
CYSLTR2 Q9NS75 3/20 0.36
GRM2 Q14416 9/20 0.34
CTSD P07339 2/20 0.34
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2009930 0.91 ITGB3 (0.34) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2005638 0.90 ITGB3 (0.38) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2010502 0.89 ITGB3 (0.39) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2010862 0.86 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL2010825 0.85 PRMT5 (0.34) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2013752 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL2005506 0.82 ITGB3 (0.42) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2010110 0.82 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL2011677 0.81 PPARG (0.35) ITGB3ITGA2BCYSLTR1CYSLTR2GRM2
SCHEMBL2008211 0.81 AOC3 (0.35) ITGB3ITGA2B

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
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US 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 (2 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885CYSLTR1 229/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885CYSLTR1 229/4885

“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.