SCHEMBL1099799

SCHEMBL1099799

O=c1[nH]c(-c2ccc(S(=O)(=O)N(CCC(F)(F)F)c3sc4ccccc4c3Br)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.45
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARB P10826 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
AGTR1 P30556 2/20 0.31
ALOX5 P09917 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1099303 0.95 TRPM8 (0.44) TRPM8ESR1ESR2ALDH1A1RARB
SCHEMBL1099043 0.94 TRPM8 (0.44) TRPM8ESR1ESR2ALDH1A1RARB
SCHEMBL1098344 0.90 TRPM8 (0.45) TRPM8ESR1ESR2RORCALDH1A1
SCHEMBL1100329 0.90 TRPM8 (0.45) TRPM8ESR1ESR2RORCALDH1A1
SCHEMBL11967661 0.88 TRPM8 (0.40) TRPM8MMP2MMP9MMP8MMP12
SCHEMBL1097816 0.88 TRPM8 (0.44) TRPM8ALDH1A1RARB
SCHEMBL1100797 0.88 TRPM8 (0.40) TRPM8ESR1ALDH1A1ALOX5
SCHEMBL1098828 0.85 TRPM8 (0.44) TRPM8ESR1ESR2ALDH1A1MMP2
SCHEMBL1100718 0.85 ESR1 (0.35) TRPM8ESR1ESR2RORC
SCHEMBL1098863 0.85 TRPM8 (0.43) TRPM8ESR1ESR2ALDH1A1MMP2

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 TRPM8 1/4885ESR1 1247/4885ESR2 946/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 TRPM8 1/4885ESR1 1247/4885ESR2 946/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 TRPM8 1/4885ESR1 1247/4885ESR2 946/4885

“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.