SCHEMBL2012555

SCHEMBL2012555

CCOC(=O)COc1ccc(O)c(C(=O)CN2Cc3cc(C#N)ccc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.44
AOC3 Q16853 4/20 0.43
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2013236 0.93 HPGD (0.45) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2011573 0.90 ALK (0.44) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2013655 0.90 ALK (0.44) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2008402 0.89 GABRA1 (0.38) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2012689 0.88 ALK (0.45) ALKAOC3ALDH1A1L3MBTL1MAPK1
SCHEMBL2010169 0.88 L3MBTL1 (0.46) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2012577 0.88 ALK (0.41) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2007456 0.87 ALK (0.42) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2012091 0.86 GAA (0.39) ALKAOC3HPGDALDH1A1L3MBTL1
SCHEMBL2007410 0.85 AOC3 (0.41) ALKAOC3HPGDALDH1A1L3MBTL1

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 3283/4885HPGD 1551/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALK 530/4885AOC3 3283/4885HPGD 1551/4885

“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.