SCHEMBL2009941

SCHEMBL2009941

CCOC(=O)COc1cc(O)c(C(=O)CN2Cc3cc(C(=N)SC)ccc3C2=O)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
AOC3 Q16853 2/20 0.36
ADORA2B P29275 2/20 0.36
PTPN1 P18031 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL2006455 0.94 ITGB3 (0.41) ITGB3ITGA2BAOC3ADORA2BHPGD
SCHEMBL2011086 0.89 ITGB3 (0.38) ITGB3ITGA2BAOC3ADORA2BPTPN1
SCHEMBL2011564 0.88 ITGB3 (0.39) ITGB3ITGA2BAOC3ADORA2BPTPN1
SCHEMBL2006182 0.88 ITGB3 (0.41) ITGB3ITGA2BAOC3ADORA2BPTPN1
SCHEMBL3606023 0.86 HPGD (0.45) ITGB3ITGA2BAOC3ADORA2BHPGD
SCHEMBL2008897 0.85 ITGB3 (0.43) ITGB3ITGA2BAOC3PTPN1HPGD
SCHEMBL2009937 0.85 ITGB3 (0.42) ITGB3ITGA2BAOC3ADORA2BCYP3A4
SCHEMBL3611645 0.84 ITGB3 (0.42) ITGB3ITGA2BAOC3ADORA2BHPGD
SCHEMBL3603113 0.84 ITGB3 (0.42) ITGB3ITGA2BAOC3ADORA2BCYP3A4
SCHEMBL2011863 0.83 L3MBTL1 (0.39) AOC3ADORA2BPTPN1MEN1KMT2A

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.