SCHEMBL2452806

SCHEMBL2452806

NS(=O)(=O)c1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA5A P35218 3/20 0.41
CA9 Q16790 3/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CA5B Q9Y2D0 1/20 0.39
CES1 P23141 1/20 0.39
CA12 O43570 2/20 0.39
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL16572564 0.82 CA1 (0.47) CA1CA2CA5ACA9PTGES2
SCHEMBL15925025 0.81 CA12 (0.42) CA1CA2CA9PTGS1PTGS2
SCHEMBL8770171 0.78 SCN9A (0.45) CA1CA2CA5APTGES2CA5B
SCHEMBL28511392 0.77 CA12 (0.42) CA1CA2CA5ACA9PTGS1
SCHEMBL15668312 0.77 PTGES2 (0.48) CA1CA2CA9PTGES2PTGS1
SCHEMBL7211494 0.77 CA2 (0.53) CA1CA2CA5ACA9PTGS1
SCHEMBL7211481 0.77 PTGS2 (0.49) CA1CA2CA5ACA9PTGS1
SCHEMBL6564249 0.75 ALDH1A1 (0.54) CA1CA2CA5ACA9PTGS1
SCHEMBL29700241 0.75 ALDH1A1 (0.54) CA1CA2CA5ACA9PTGS1
SCHEMBL7078177 0.75 ALDH1A1 (0.54) CA1CA2CA5ACA9PTGS1

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 CA1 993/4885CA2 2402/4885CA5A 288/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CA1 3447/4885CA2 4418/4885CA5A 532/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CA1 993/4885CA2 2402/4885CA5A 288/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA5A 443/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CA1 993/4885CA2 2402/4885CA5A 288/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CA1 3615/4885CA2 4111/4885CA5A 443/4885

“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.