SCHEMBL2012091

SCHEMBL2012091

CCOC(=O)COc1cc(O)c(C(=O)CN2Cc3cc(C#N)ccc3C2=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PPOX P50336 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALK Q9UM73 1/20 0.36
ALOX15 P16050 1/20 0.35
AOC3 Q16853 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
PDE5A O76074 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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 0.93 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2009933 0.89 ALK (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2007128 0.89 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2014061 0.87 GABRA1 (0.38) GAAPKMGABRA1GABRG2GABRB3
SCHEMBL2009466 0.87 GABRA1 (0.39) GAAPKMPPOXGABRA1GABRG2
SCHEMBL2013236 0.86 HPGD (0.45) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL2012555 0.86 ALK (0.44) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL2013747 0.85 GABRA1 (0.39) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL2011573 0.85 ALK (0.44) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL2011867 0.85 GAA (0.38) GAAPKMPPOXL3MBTL1ALOX15

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 GAA 3340/4885PKM 3583/4885PPOX 1690/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 GAA 3340/4885PKM 3583/4885PPOX 1690/4885

“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.