SCHEMBL6861343

SCHEMBL6861343

CC(C)N(c1ccc(C(F)(F)F)cc1OCc1ccc(/C=C/C(=O)O)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 8/20 0.43
TRPV1 Q8NER1 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PSEN1 P49768 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
SCHEMBL6861340 1.00 KEAP1 (0.49) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6862416 0.99 KEAP1 (0.48) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6862414 0.99 KEAP1 (0.48) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6862411 0.93 KEAP1 (0.49) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6861197 0.93 KDM4E (0.46) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6861200 0.93 KDM4E (0.46) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6862531 0.91 CYP1A1 (0.45) KEAP1NFE2L2KDM4ELMNAPPARG
SCHEMBL6862532 0.91 CYP1A1 (0.45) KEAP1NFE2L2KDM4ELMNAPPARG
SCHEMBL6863897 0.90 KEAP1 (0.51) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6863901 0.90 KEAP1 (0.51) KEAP1NFE2L2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity OHUCHIDA SHUICHI (JP) 2003-03-27 US claimed
US-6790866-B2 SUCH AS 4-(2-PHENYLSULFONYLAMINO-5-CHLOROBENZOYLAMINO)BENZOIC ACID FOR USE AS PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; FOR INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, AND/OR FOR INCREASE OF VESICAL CAPACITY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
US-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity OHUCHIDA SHUICHI (JP) 2003-03-27 US disclosed
US-6448290-B1 PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, INCREASING VESICAL CAPACITY, CATHARTIC, SUPPRESSION OF GASTRIC ACID SECRETION, ANTIHYPERTENSIVE, DIURETIC AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-10 US disclosed
EP-0947500-A1 SULFONAMIDE AND CARBOXAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 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 (1 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-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity CNR1, HCAR1, HCAR2 KEAP1 2167/4885NFE2L2 726/4885RXRA 1529/4885

“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.