SCHEMBL1099466

SCHEMBL1099466

CCS(=O)(=O)N(CC(F)F)c1sc2ccccc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
PTGS2 P35354 3/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
CYP3A4 P08684 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
SCHEMBL1099374 0.86 TSHR (0.36) PTGS2ALDH1A1MAPTTSHR
SCHEMBL1098846 0.86 TRPM8 (0.40) HDAC6HPGDNPC1ALDH1A1LMNA
SCHEMBL1099996 0.84 KEAP1 (0.37) PTGS2HPGDLMNAMAPTKMT2A
SCHEMBL1098743 0.82 PTPN1 (0.38) PTGS2HPGDNPC1ALDH1A1LMNA
SCHEMBL1097999 0.79 HSD11B1 (0.32) PTGS2HPGDNPC1ALDH1A1LMNA
SCHEMBL1100682 0.77 TRPM8 (0.49) KMT2ATRPM8
SCHEMBL1098443 0.76 TRPM8 (0.43) HDAC6PTGS2HPGDNPC1ALDH1A1
SCHEMBL1098683 0.76 ALDH1A1 (0.32) PTGS2HPGDNPC1ALDH1A1LMNA
SCHEMBL1098799 0.74 C1R (0.44) TSHRKMT2ATRPM8
SCHEMBL1099029 0.73 TSHR (0.36) PTGS2HPGDALDH1A1MAPTTSHR

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 HDAC6 802/4885PTGS2 382/4885HPGD 2923/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 HDAC6 802/4885PTGS2 382/4885HPGD 2923/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 HDAC6 802/4885PTGS2 382/4885HPGD 2923/4885

“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.