SCHEMBL1884642

SCHEMBL1884642

COC(=O)C(C)NC(=O)C(C)c1cccc(C(=O)c2ccco2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41

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
SCHEMBL1884640 1.00 PTGS1 (0.52) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1885300 0.88 MAPT (0.49) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1885304 0.88 MAPT (0.49) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL12660189 0.88 MAPT (0.49) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1889984 0.83 ALDH1A1 (0.50) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1889981 0.83 ALDH1A1 (0.50) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL4258886 0.80 ALDH1A1 (0.53) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL4258877 0.80 ALDH1A1 (0.53) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1888500 0.79 ALDH1A1 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1888503 0.79 ALDH1A1 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A

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
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
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 PTGS1 197/4885PTGS2 137/4885ALDH1A1 1262/4885

“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.