SCHEMBL2014777

SCHEMBL2014777

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(=N)SC)ccc3C2=O)cc1SCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
AOC3 Q16853 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
PTPN1 P18031 1/20 0.31
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PIN1 Q13526 1/20 0.30
PIN4 Q9Y237 1/20 0.30

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
SCHEMBL5823967 0.91 ITGB3 (0.45) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2011020 0.91 ITGB3 (0.38) ITGB3ITGA2BAOC3MEN1KMT2A
Iodide SCHEMBL2012763 0.90 ITGB3 (0.36) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2012955 0.90 ITGB3 (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2014303 0.89 GAA (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2012562 0.88 ITGB3 (0.38) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2011010 0.86 ITGB3 (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2008988 0.86 ITGB3 (0.34) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2007093 0.86 NPC1 (0.36) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2008897 0.86 ITGB3 (0.43) ITGB3ITGA2BAOC3MEN1KMT2A

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.