SCHEMBL1890344

SCHEMBL1890344

CC(C(=O)O)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
KIF11 P52732 1/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
SMYD3 Q9H7B4 2/20 0.42
CRBN Q96SW2 2/20 0.40
AKR1B1 P15121 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4259653 1.00 CA9 (0.50) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL11574095 0.88 KIF11 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1880793 0.87 CA9 (0.53) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL1880791 0.87 CA9 (0.53) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL2218608 0.83 CA9 (0.54) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL29754329 0.83 CA9 (0.57) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL2611058 0.83 CA9 (0.57) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL29337400 0.80 CA9 (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL24192092 0.78 AHR (0.49) PTGS1PTGS2SMYD3
SCHEMBL7037819 0.78 AHR (0.49) PTGS1PTGS2SMYD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 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-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR2, C5AR1 CA9 4055/4885NPC1 4258/4885MAPK13 2206/4885

“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.