SCHEMBL4873168

SCHEMBL4873168

CC(C)CS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
ALDH1A1 P00352 3/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR6 P50406 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA14 Q9ULX7 2/20 0.46
USP2 O75604 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL11951567 0.83 GAA (0.46) GAAALDH1A1LMNACA1CA2
SCHEMBL11406355 0.81 GAA (0.53) GAAALDH1A1TSHRLMNAMPO
SCHEMBL2779200 0.81 ALDH1A1 (0.57) GAAALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL4711634 0.80 PSIP1 (0.66) GAAALDH1A1CA1CA2CA12
SCHEMBL4010614 0.79 CA1 (0.49) ALDH1A1CA1CA2MMP13MMP1
SCHEMBL3067678 0.79 MMP13 (0.42) GAAALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL2923150 0.79 CA2 (0.52) GAAALDH1A1LMNACA1CA2
SCHEMBL330253 0.79 PLCG1 (0.59) CYP3A4CYP2C9CA1CA2CA12
SCHEMBL778303 0.78 PSIP1 (0.60) GAAALDH1A1HTR6TDP1SMN1; SMN2
SCHEMBL1973873 0.78 GAA (0.95) GAAALDH1A1TSHRLMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
EP-0039312-B1 COLOUR PHOTOPGRAPHIC MATERIAL FOR THE SILVER-DYE BLEACHING PROCESS, PROCESS FOR THE PRODUCTION OF THIS MATERIAL AND ITS USE IN THE PRODUCTION OF PHOTOGRAPHIC IMAGES CIBA-GEIGY AG (CH) 1983-12-28 EP disclosed
EP-0038439-B1 DYESTUFF MIXTURES, METHOD FOR THEIR PREPARATION, THE COMPONENT DYESTUFFS AND THEIR USE IN DYEING AND PRINTING SYNTHETIC, HYDROPHOBIC FIBRE MATERIAL CASSELLA Aktiengesellschaft (DE) 1983-05-04 EP disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed
EP-0038439-A1 Dyestuff mixtures, method for their preparation, the component dyestuffs and their use in dyeing and printing synthetic, hydrophobic fibre material CASSELLA Aktiengesellschaft (DE) 1981-10-28 EP 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-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 GAA 2594/4885ALDH1A1 843/4885TSHR 397/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G GAA 1355/4885ALDH1A1 364/4885TSHR 717/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 GAA 2033/4885ALDH1A1 592/4885TSHR 1641/4885

“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.