SCHEMBL2878152

SCHEMBL2878152

O=C(O)CC1C(=O)Nc2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
KMT2A Q03164 2/20 0.41
IDO1 P14902 7/20 0.40
TDO2 P48775 3/20 0.40
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
AKR1B1 P15121 1/20 0.36
GRB2 P62993 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14485127 0.83 TNKS (0.46) EGFRKMT2AIDO1TDO2HSD17B10
SCHEMBL8140009 0.83 EGFR (0.43) EGFRKMT2AIDO1TDO2GLA
SCHEMBL12214786 0.80 TSHR (0.46) KMT2AHSD17B10MAPTHTTCDYL2
SCHEMBL2526545 0.80 CDYL2 (0.52) EGFRKMT2AMAPTCDYL2CDYL
SCHEMBL1302976 0.79 EGFR (0.69) EGFRKMT2AIDO1TDO2GLA
SCHEMBL29437202 0.79 EGFR (0.69) EGFRKMT2AIDO1TDO2GLA
SCHEMBL8138050 0.74 HTR7 (0.48) EGFRIDO1TDO2CDYL2CDYL
SCHEMBL14484522 0.74 NQO2 (0.44) EGFRKMT2AMAPTHTTCDYL2
SCHEMBL7651400 0.72 EGFR (0.44) EGFRKMT2AIDO1TDO2GLA
SCHEMBL3338745 0.72 HSD17B10 (0.46) EGFRKMT2AIDO1TDO2GLA

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
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
EP-2079467-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 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 (1 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 EGFR 2655/4885KMT2A 2688/4885IDO1 2565/4885

“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.