SCHEMBL2012562

SCHEMBL2012562

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
AOC3 Q16853 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN1 P18031 1/20 0.32
ESR1 P03372 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL5823967 0.92 ITGB3 (0.45) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2010434 0.91 ITGB3 (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2007547 0.90 ITGB3 (0.39) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2014777 0.88 ITGB3 (0.38) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2015602 0.87 GAA (0.38) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2012955 0.87 ITGB3 (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2009871 0.86 GABRA1 (0.37) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2011376 0.86 AOC3 (0.34) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2013623 0.85 ITGB3 (0.38) ITGB3ITGA2BAOC3MEN1KMT2A
SCHEMBL2007989 0.84 AOC3 (0.46) 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 4 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

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.