SCHEMBL2014049

SCHEMBL2014049

NC(=S)c1ccc2c(c1)CN(CC(=O)c1ccc(OCC(=O)OC3CCN(C(=O)OCc4ccccc4)CC3)cc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 8/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LNPEP Q9UIQ6 1/20 0.36
AOC3 Q16853 1/20 0.35
MAPT P10636 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL2013979 0.93 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2013867 0.89 ALDH1A1 (0.40) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2009624 0.88 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2007417 0.87 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2014185 0.79 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2RAB9ANPC1
SCHEMBL2006749 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19ALDH1A1RAB9ANPC1
SCHEMBL2007989 0.77 AOC3 (0.46) ITGB3ITGA2BALDH1A1AOC3MAPT
SCHEMBL2009838 0.77 ITGB3 (0.46) ITGB3ITGA2BALDH1A1RAB9ANPC1
SCHEMBL2007269 0.75 ITGB3 (0.42) ITGB3ITGA2BALDH1A1RAB9ANPC1
SCHEMBL2009373 0.75 ITGB3 (0.44) ITGB3ITGA2BALDH1A1RAB9ANPC1

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 63/4885SMN1; SMN2 4690/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885SMN1; SMN2 4690/4885

“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.