SCHEMBL3886291

SCHEMBL3886291

C[C@@H](C(=O)CS(N)(=O)=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CYP1A2 P05177 2/20 0.41
FAAH O00519 1/20 0.39
CA2 P00918 1/20 0.38
EPHX1 P07099 3/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15285417 0.80 FAAH (0.64) ALOX5FAAHCA2EPHX1TSHR
SCHEMBL2237283 0.80 FAAH (0.64) ALOX5FAAHCA2EPHX1TSHR
SCHEMBL6219939 0.74 CA2 (0.43) ALOX5CYP1A2CA2
SCHEMBL1666626 0.74 CXCR2 (0.60) CA2
SCHEMBL1667673 0.74 CXCR2 (0.60) CA2
SCHEMBL7164190 0.74 CA2 (0.43) ALOX5CYP1A2CA2
SCHEMBL3875094 0.74 EPHX1 (0.58) ALOX5CYP1A2EPHX1CYP2D6TSHR
SCHEMBL4493827 0.74 EPHX1 (0.58) ALOX5CYP1A2EPHX1CYP2D6TSHR
SCHEMBL5249132 0.73 FAAH (0.41) ALOX5FAAHCA2EPHX1TSHR
SCHEMBL5213717 0.73 FAAH (0.41) ALOX5FAAHCA2EPHX1TSHR

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-1844001-B1 METABOLITES OF 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-06-10 EP disclosed
US-20090131441-A1 Metabolites Of 2-Arylpropionic Acid Derivatives And Pharmaceutical Compositions Containing Them DOMPE PHAR.R.MA S.P.A. (IT) 2009-05-21 US disclosed
EP-1844001-A1 METABOLITES OF 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-10-17 EP disclosed
WO-2006079624-A1 METABOLITES OF 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA. S.P.A. (IT) 2006-08-03 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-20090131441-A1 Metabolites Of 2-Arylpropionic Acid Derivatives And Pharmaceutical Compositions Containing Them CXCR2, CXCR3, MMP8 ALOX5 420/4885CYP1A2 817/4885FAAH 586/4885

“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.