SCHEMBL2011122

SCHEMBL2011122

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(N)=S)ccc3C2=O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
AOC3 Q16853 4/20 0.44
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
ALDH2 P05091 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 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
SCHEMBL2013660 0.93 AOC3 (0.44) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2006457 0.92 AOC3 (0.45) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2009709 0.92 AOC3 (0.44) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2011518 0.92 ITGB3 (0.53) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2010952 0.90 AOC3 (0.43) HPGDITGB3ITGA2BAOC3MEN1
SCHEMBL2012067 0.90 ITGB3 (0.42) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2007989 0.89 AOC3 (0.46) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2010431 0.89 AOC3 (0.42) HPGDITGB3ITGA2BAOC3HSD17B10
SCHEMBL2010451 0.89 ITGB3 (0.38) HPGDITGB3ITGA2BAOC3MEN1
SCHEMBL2012815 0.88 HPGD (0.47) HPGDITGB3ITGA2BAOC3HSD17B10

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 HPGD 1551/4885ITGB3 169/4885ITGA2B 63/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HPGD 1551/4885ITGB3 169/4885ITGA2B 63/4885

“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.