SCHEMBL2014008

SCHEMBL2014008

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(=N)NO)ccc3C2=O)c(OCC(=O)OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
AOC3 Q16853 4/20 0.42
HPGD P15428 5/20 0.38
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NTSR1 P30989 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CASP1 P29466 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2009776 0.97 ITGB3 (0.42) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2007781 0.97 ITGB3 (0.44) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2013750 0.96 ITGB3 (0.41) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2009635 0.95 ITGB3 (0.40) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2011367 0.93 AOC3 (0.40) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2012100 0.93 HPGD (0.45) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2010377 0.91 ITGB3 (0.42) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2008615 0.91 ITGB3 (0.43) ITGB3ITGA2BAOC3HPGDALDH1A1
SCHEMBL2009674 0.90 ITGB3 (0.51) ITGB3ITGA2BAOC3HPGDADORA2B
SCHEMBL2007948 0.89 ITGB3 (0.36) ITGB3ITGA2BAOC3GAAALOX15

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 6 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
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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 (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 63/4885AOC3 3283/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885AOC3 3283/4885

“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.