SCHEMBL2009933

SCHEMBL2009933

CCOC(=O)COc1cc(O)c(C(=O)CN2Cc3cc(C#N)ccc3C2=O)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.34
AOC3 Q16853 2/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 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
SCHEMBL2008402 0.92 GABRA1 (0.38) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2012091 0.89 GAA (0.39) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2007128 0.87 GABRA1 (0.35) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2009902 0.85 AOC3 (0.35) KDM4EALOX15AOC3ESR1L3MBTL1
SCHEMBL2013236 0.84 HPGD (0.45) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2012555 0.84 ALK (0.44) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2008588 0.84 ITGB3 (0.34) ALOX15AOC3ESR1KMT2ACASP3
SCHEMBL2009815 0.84 ITGB3 (0.34) ALOX15AOC3ESR1KMT2ACASP3
SCHEMBL2013747 0.84 GABRA1 (0.39) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2011573 0.83 ALK (0.44) ALKGABRA1GABRG2GABRB3GABRA5

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 ALK 530/4885GABRA1 60/4885GABRG2 62/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALK 530/4885GABRA1 60/4885GABRG2 62/4885

“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.