SCHEMBL15780640

SCHEMBL15780640

CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.46
RORC P51449 5/20 0.45
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 4/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
HSD11B1 P28845 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2L1 Q07817 1/20 0.36
NR1H3 Q13133 1/20 0.35

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
SCHEMBL15772054 0.78 MCL1 (0.66) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL15772696 0.75 RORC (0.58) RORC
SCHEMBL15780656 0.75 ALDH1A1 (0.56) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL17276835 0.75 RORC (0.78) RORC
SCHEMBL28129570 0.74 MCL1 (0.62) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL15806720 0.71 RORC (0.45) MCL1RORC
SCHEMBL17843295 0.71 MCL1 (0.58) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL15772527 0.69 MCL1 (0.75) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL18392319 0.69 MCL1 (0.75) MCL1RORCTSHRMAPK1KMT2A
SCHEMBL17852218 0.68 S1PR1 (0.50) MCL1RORCTSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
WO-2015177325-A1 BENZENE SULFONAMIDE DERIVATIVES AND THEIR USE AS RORC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
WO-2014090710-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO disclosed
US-20140163110-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US disclosed
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US disclosed
US-20140163110-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US disclosed
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 US 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 (2 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-20140163110-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB MCL1 1532/4885RORC 1/4885TSHR 159/4885
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB MCL1 1899/4885RORC 1/4885TSHR 285/4885

“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.