SCHEMBL1098095

SCHEMBL1098095

O=S(=O)(c1ccc(-c2nnn[nH]2)cc1)N(CCCC(F)(F)F)c1cc2ccccc2s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGS2 P35354 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
RORC P51449 3/20 0.31
TRPM8 Q7Z2W7 3/20 0.31

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
SCHEMBL1099944 0.94 ESR1 (0.37) ESR1ESR2PTGS2CA1CA2
SCHEMBL1100555 0.88 ALOX5 (0.39) ESR1CA1CA2CA9RORC
SCHEMBL1099419 0.84 RORC (0.36) PTGS2CA1CA2CA9RORC
SCHEMBL1100055 0.83 TRPM8 (0.45) ESR1ESR2PTGS2MMP2MMP9
SCHEMBL1099935 0.81 ESR1 (0.32) ESR1ESR2PTGS2CA1CA2
SCHEMBL1099066 0.79 TRPM8 (0.47) TRPM8
SCHEMBL1100059 0.79 ALOX5 (0.43) TRPM8
SCHEMBL1107246 0.79 RORC (0.40) ESR1ESR2RORC
SCHEMBL12000790 0.79 ALDH1A1 (0.41) ESR1ESR2RORCTRPM8
SCHEMBL1098250 0.79 ESR1 (0.39) ESR1ESR2PTGS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 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 (3 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-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ESR1 1247/4885ESR2 946/4885PTGS2 382/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ESR1 1247/4885ESR2 946/4885PTGS2 382/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ESR1 1247/4885ESR2 946/4885PTGS2 382/4885

“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.