SCHEMBL1138745

SCHEMBL1138745

CC(C)CN(c1ccc(C(F)(F)F)cc1OCc1ccc(C=CC(=O)O)cc1)S(=O)(=O)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AKR1C3 P42330 5/20 0.38
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36

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
SCHEMBL2735695 1.00 KEAP1 (0.41) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL1138805 0.91 KEAP1 (0.40) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL12863735 0.91 KEAP1 (0.40) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL1139554 0.90 KDM4E (0.42) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL1139450 0.90 KDM4E (0.42) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL1139125 0.89 RXRA (0.48) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL1139142 0.88 AKR1C3 (0.43) KDM4ELMNAAKR1C3
SCHEMBL12863537 0.88 AKR1C3 (0.43) KDM4ELMNAAKR1C3
SCHEMBL6863897 0.88 KEAP1 (0.51) KEAP1NFE2L2KDM4ELMNAAKR1C3
SCHEMBL6863901 0.88 KEAP1 (0.51) KEAP1NFE2L2KDM4ELMNAAKR1C3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP claimed
US-20080312326-A1 Method for the Prevention and/or Treatment of Neurodegenerative Diseases Characterized by Administering and Ep1 Receptor Antagonist THE JOHN HOPKINS UNIVERSITY (US) 2008-12-18 — — US claimed
WO-2006135545-A2 A METHOD FOR THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISEASES CHARACTERIZED BY ADMINISTERING AN EP1 RECEPTOR ANTAGONIST THE JOHNS HOPKINS UNIVERSITY (US) 2006-12-21 — — WO claimed
US-20040102524-A1 Method of treatment ASTRAZENECA AB (SE) 2004-05-27 — — US claimed
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US claimed
EP-1370266-A1 METHOD OF TREATMENT AstraZeneca AB (SE) 2003-12-17 — — EP claimed
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
WO-2002072098-A1 METHOD OF TREATMENT ASTRAZENECA AB (SE) 2002-09-19 — — WO claimed
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 claimed
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 claimed
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP disclosed
US-20080312326-A1 Method for the Prevention and/or Treatment of Neurodegenerative Diseases Characterized by Administering and Ep1 Receptor Antagonist THE JOHN HOPKINS UNIVERSITY (US) 2008-12-18 — — US disclosed
US-7335776-B2 Remedies for depression containing EP1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 — — US disclosed
US-20070167500-A1 Remedy for urinary tract diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 — — US disclosed
WO-2006135545-A2 A METHOD FOR THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISEASES CHARACTERIZED BY ADMINISTERING AN EP1 RECEPTOR ANTAGONIST THE JOHNS HOPKINS UNIVERSITY (US) 2006-12-21 — — WO 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
WO-2002072098-A1 METHOD OF TREATMENT ASTRAZENECA AB (SE) 2002-09-19 — — WO 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
WO-2000069465-A1 ANTICANCER AGENTS CONTAINING EP1 ANTAGONISTS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-11-23 — — WO 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 (5 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-20080312326-A1 Method for the Prevention and/or Treatment of Neurodegenerative Diseases Characterized by Administering and Ep1 Receptor Antagonist PTGER1, PSEN1, EPN1 KEAP1 332/4885NFE2L2 830/4885KDM4E 4351/4885
US-20070167500-A1 Remedy for urinary tract diseases PTGER3, PTGER1, PTGES3 KEAP1 502/4885NFE2L2 592/4885KDM4E 3619/4885
US-20040102524-A1 Method of treatment PTGER1, PTGS1, PTGER2 KEAP1 881/4885NFE2L2 1289/4885KDM4E 4015/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 KEAP1 1880/4885NFE2L2 537/4885KDM4E 4138/4885
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 726/4885KDM4E 1582/4885

“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.

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