SCHEMBL2452804

SCHEMBL2452804

O=S(=O)(NC(F)(F)F)c1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
ALOX5AP P20292 13/20 0.45
FEN1 P39748 13/20 0.45
EDNRB P24530 4/20 0.44
EDNRA P25101 4/20 0.44
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 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
SCHEMBL1968159 0.84 ALOX5AP (0.59) CASP1ALOX5APFEN1EDNRBEDNRA
SCHEMBL15668311 0.79 CASP1 (0.51) CASP1ALOX5APFEN1EDNRBEDNRA
SCHEMBL1767981 0.77 CA2 (0.58) CASP1EDNRBEDNRAUCHL1USP30
SCHEMBL29537027 0.77 CA2 (0.58) CASP1EDNRBEDNRAUCHL1USP30
SCHEMBL8997291 0.77 CASP1 (0.50) CASP1EDNRBEDNRA
SCHEMBL17978509 0.77 PTGS2 (0.50)
SCHEMBL6820374 0.76 EDNRA (0.56) CASP1ALOX5APFEN1EDNRBEDNRA
SCHEMBL1846856 0.76 CASP1 (0.51) CASP1ALOX5APFEN1EDNRBEDNRA
SCHEMBL418847 0.76 CASP1 (0.51) CASP1ALOX5APFEN1EDNRBEDNRA
SCHEMBL10780146 0.76 CASP1 (0.51) CASP1ALOX5APFEN1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US disclosed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 EP disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 WO disclosed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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 (6 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CASP1 331/4885ALOX5AP 329/4885FEN1 4481/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CASP1 1208/4885ALOX5AP 95/4885FEN1 1/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CASP1 331/4885ALOX5AP 329/4885FEN1 4481/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CASP1 2012/4885ALOX5AP 80/4885FEN1 2/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CASP1 331/4885ALOX5AP 329/4885FEN1 4481/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CASP1 2012/4885ALOX5AP 80/4885FEN1 2/4885

“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.