SCHEMBL2013979

SCHEMBL2013979

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL2014049 0.93 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2009624 0.91 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2013867 0.89 ALDH1A1 (0.40) ITGB3ITGA2BSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2014185 0.87 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL2007417 0.79 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2ALDH1A1NPC1
SCHEMBL2006749 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL2013417 0.78 ITGB3 (0.63) ITGB3ITGA2BF10
SCHEMBL2015632 0.77 ITGB3 (0.53) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL2010110 0.77 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2ALDH1A1NPC1
SCHEMBL2009990 0.77 ITGB3 (0.55) ITGB3ITGA2BNPC1RAB9AF10

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 12 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 claimed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US claimed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US claimed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US claimed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP claimed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO claimed
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.