SCHEMBL2013568

SCHEMBL2013568

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(=N)NC(=O)OC(C)(C)C)ccc3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
AOC3 Q16853 4/20 0.39
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PTPN1 P18031 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2010002 0.90 ITGB3 (0.45) ITGB3ITGA2BAOC3MAPTKDM4E
SCHEMBL2008615 0.87 ITGB3 (0.43) ITGB3ITGA2BAOC3TPSAB1TPSD1
SCHEMBL2009676 0.84 ITGB3 (0.41) ITGB3ITGA2BAOC3MAPTALDH1A1
SCHEMBL2010773 0.84 ITGB3 (0.41) ITGB3ITGA2BAOC3MAPTALDH1A1
SCHEMBL2015632 0.84 ITGB3 (0.53) ITGB3ITGA2BAOC3TPSAB1TPSD1
SCHEMBL2013570 0.83 NPC1 (0.44) AOC3MAPTALDH1A1KDM4ENPC1
SCHEMBL2010633 0.82 ITGB3 (0.42) ITGB3ITGA2BAOC3MAPTALDH1A1
SCHEMBL2010806 0.82 ITGB3 (0.47) ITGB3ITGA2BAOC3MAPTALDH1A1
SCHEMBL2008897 0.82 ITGB3 (0.43) ITGB3ITGA2BAOC3TPSAB1TPSD1
SCHEMBL2010746 0.81 ITGB3 (0.44) ITGB3ITGA2BAOC3MAPTALDH1A1

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.