SCHEMBL2452803

SCHEMBL2452803

NS(=O)(=O)c1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
PTGES2 Q9H7Z7 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 9/20 0.45
CA1 P00915 8/20 0.45
CA5A P35218 5/20 0.45
CA5B Q9Y2D0 4/20 0.45
CA9 Q16790 5/20 0.44
CA6 P23280 4/20 0.44
CA4 P22748 3/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA14 Q9ULX7 2/20 0.44
CYP2C9 P11712 1/20 0.44
SLC22A12 Q96S37 2/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 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
SCHEMBL16013400 0.85 PTGES2 (0.42) SCN9APTGES2MEN1KMT2ACA2
SCHEMBL29418255 0.84 MEN1 (0.56) PTGES2MEN1KMT2ACA2CA1
SCHEMBL302570 0.84 MEN1 (0.56) PTGES2MEN1KMT2ACA2CA1
SCHEMBL4347732 0.84 TSHR (0.47) SCN9APTGES2MEN1KMT2ACA2
SCHEMBL8770175 0.82 SCN9A (0.42) SCN9APTGES2MEN1KMT2ACA2
Bromide SCHEMBL16335049 0.82 MEN1 (0.55) PTGES2MEN1KMT2ACA2CA1
Hydrochloric Acid SCHEMBL2640190 0.82 MEN1 (0.55) PTGES2MEN1KMT2ACA2CA1
SCHEMBL4761019 0.82 SLC22A12 (0.46) MEN1KMT2ACYP2C9SLC22A12ALDH1A1
SCHEMBL1080972 0.82 CA2 (0.61) MEN1KMT2ACA2CA1CA5A
SCHEMBL18240869 0.81 MEN1 (0.46) MEN1KMT2ASLC22A12ALDH1A1HSD11B1

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 SCN9A 4763/4885PTGES2 161/4885MEN1 4160/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R SCN9A 4784/4885PTGES2 67/4885MEN1 1999/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 SCN9A 4763/4885PTGES2 161/4885MEN1 4160/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R SCN9A 4764/4885PTGES2 43/4885MEN1 2864/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 SCN9A 4763/4885PTGES2 161/4885MEN1 4160/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R SCN9A 4764/4885PTGES2 43/4885MEN1 2864/4885

“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.