SCHEMBL2011022

SCHEMBL2011022

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(N)=S)ccc3C2=O)c(O)c1CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
AOC3 Q16853 2/20 0.36
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TNF P01375 1/20 0.30
PIN1 Q13526 1/20 0.30
PIN4 Q9Y237 1/20 0.30

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
SCHEMBL2011017 0.94 AOC3 (0.35) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2009353 0.92 ITGB3 (0.37) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2010006 0.91 ITGB3 (0.36) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2012140 0.90 AOC3 (0.37) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2011376 0.88 AOC3 (0.34) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2010862 0.88 ITGB3 (0.35) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2009693 0.87 ITGB3 (0.35) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2006457 0.87 AOC3 (0.45) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2010451 0.87 ITGB3 (0.38) ITGB3ITGA2BAOC3ALOX15MEN1
SCHEMBL2007724 0.86 ITGB3 (0.36) ITGB3ITGA2BAOC3ALOX15MEN1

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 63/4885AOC3 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.