SCHEMBL2010110

SCHEMBL2010110

CSC(=N)c1ccc2c(c1)CN(CC(=O)c1ccc(OCC(=O)OCc3ccccc3)cc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AOC3 Q16853 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL2013752 0.91 ITGB3 (0.47) ITGB3ITGA2BKDM4EMAPTPOLB
SCHEMBL2014185 0.89 ITGB3 (0.59) ITGB3ITGA2BNPC1RAB9AMAPK1
SCHEMBL2008897 0.89 ITGB3 (0.43) ITGB3ITGA2BNPC1RAB9AKDM4E
SCHEMBL2009624 0.88 ITGB3 (0.41) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL2010806 0.87 ITGB3 (0.47) ITGB3ITGA2BNPC1RAB9AMAPK1
SCHEMBL2011159 0.87 ITGB3 (0.44) ITGB3ITGA2BNPC1RAB9AKDM4E
SCHEMBL2009998 0.86 ITGB3 (0.41) ITGB3ITGA2BNPC1RAB9AKDM4E
SCHEMBL2007417 0.85 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9AMAPK1
SCHEMBL2009664 0.84 ITGB3 (0.42) ITGB3ITGA2BNPC1RAB9AKDM4E
SCHEMBL2011666 0.84 ITGB3 (0.46) ITGB3ITGA2BNPC1RAB9AMAPK1

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 63/4885NPC1 4226/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885NPC1 4226/4885

“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.