SCHEMBL4874566

SCHEMBL4874566

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.53
CA1 P00915 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
RORC P51449 4/20 0.46
PARP10 Q53GL7 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL17814157 0.84 PRSS1 (0.49) ALDH1A1
SCHEMBL2592148 0.84 TAS2R14 (0.58) CA2CA1CA12CA9CA14
SCHEMBL4639123 0.81 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL2586496 0.79 CA12 (0.53) CA2CA1CA12CA9CA14
SCHEMBL907548 0.78 ALDH1A1 (0.51) CA2CA1CA12CA9CA14
SCHEMBL2923150 0.77 CA2 (0.52) CA2CA1CA12CA9ALDH1A1
SCHEMBL4873168 0.77 GAA (0.61) CA2CA1CA12CA9CA14
SCHEMBL2027641 0.76 CA2 (0.55) CA2CA1CA12CA9CA14
SCHEMBL2027640 0.76 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL2779200 0.75 ALDH1A1 (0.57) CA2CA1CA12CA9ALDH1A1

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
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
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 claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
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

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 CA2 748/4885CA1 2290/4885CA12 3855/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G CA2 943/4885CA1 1046/4885CA12 2843/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 CA2 547/4885CA1 922/4885CA12 2347/4885

“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.