SCHEMBL2011867

SCHEMBL2011867

CCOC(=O)COc1cc(O)c(C(=O)CN2Cc3cc(C(N)=S)ccc3C2=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
PPOX P50336 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
AOC3 Q16853 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL2010451 0.93 ITGB3 (0.38) L3MBTL1ITGB3ITGA2BAOC3MEN1
SCHEMBL2007724 0.91 ITGB3 (0.36) PKML3MBTL1ITGB3ITGA2BAOC3
SCHEMBL2009902 0.89 AOC3 (0.35) L3MBTL1ITGB3ITGA2BAOC3MEN1
SCHEMBL2008571 0.89 AOC3 (0.35) L3MBTL1ITGB3ITGA2BAOC3MEN1
SCHEMBL2015602 0.88 GAA (0.38) GAAPKML3MBTL1PPOXITGB3
SCHEMBL2007042 0.87 GAA (0.37) GAAPKML3MBTL1PPOXITGB3
SCHEMBL2005606 0.87 GAA (0.37) GAAPKML3MBTL1PPOXITGB3
SCHEMBL2012140 0.87 AOC3 (0.37) GAAPKML3MBTL1PPOXITGB3
SCHEMBL2011122 0.86 HPGD (0.46) GAAITGB3ITGA2BAOC3MEN1
SCHEMBL2013660 0.86 AOC3 (0.44) GAAITGB3ITGA2BAOC3MEN1

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 GAA 3340/4885PKM 3583/4885L3MBTL1 4640/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 GAA 3340/4885PKM 3583/4885L3MBTL1 4640/4885

“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.