SCHEMBL2012689

SCHEMBL2012689

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C#N)ccc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.45
AOC3 Q16853 2/20 0.44
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2008928 0.90 AOC3 (0.42) AOC3ITGB3ITGA2BMAPTL3MBTL1
SCHEMBL2011031 0.90 GABRA1 (0.40) ALKAOC3ITGB3ITGA2BGABRA1
SCHEMBL2008790 0.90 ITGB3 (0.39) ALKAOC3ITGB3ITGA2BMAPT
SCHEMBL2011573 0.89 ALK (0.44) ALKAOC3GABRA1GABRG2GABRB3
SCHEMBL2013655 0.88 ALK (0.44) ALKAOC3GABRA1GABRG2GABRB3
SCHEMBL2013236 0.88 HPGD (0.45) ALKAOC3ITGB3ITGA2BGABRA1
SCHEMBL2012555 0.88 ALK (0.44) ALKAOC3GABRA1GABRG2GABRB3
SCHEMBL2012577 0.88 ALK (0.41) ALKAOC3ITGB3ITGA2BGABRA1
SCHEMBL2014017 0.88 ITGB3 (0.40) AOC3ITGB3ITGA2BMAPT
SCHEMBL2009648 0.88 TRPM8 (0.43) AOC3ITGB3ITGA2BGABRA1GABRG2

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 ALK 530/4885AOC3 3283/4885ITGB3 169/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALK 530/4885AOC3 3283/4885ITGB3 169/4885

“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.