SCHEMBL6862912

SCHEMBL6862912

CCC(Cc1ccccc1)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1OCc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PPARD Q03181 2/20 0.41
PPARG P37231 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
AKR1C3 P42330 5/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
KIFC1 Q9BW19 1/20 0.39
BACE1 P56817 1/20 0.39
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6861207 0.89 TRPV1 (0.42) KDM4ELMNATRPV1NOS3NOS1
SCHEMBL7243464 0.87 NOS3 (0.42) TRPV1NOS3NOS1NOS2AKR1C3
SCHEMBL6864214 0.86 TRPV1 (0.42) KDM4ELMNATRPV1NOS3NOS1
SCHEMBL6862508 0.82 AKR1C3 (0.46) KDM4ELMNATRPV1RXRARXRB
SCHEMBL6864065 0.82 TRPV1 (0.40) KDM4ELMNATRPV1PPARDPPARG
SCHEMBL6860358 0.82 KDM4E (0.44) KDM4ELMNATRPV1PPARDPPARG
SCHEMBL6856108 0.81 TRPV1 (0.43) KDM4ELMNATRPV1NOS3NOS1
SCHEMBL6856105 0.81 TRPV1 (0.43) KDM4ELMNATRPV1NOS3NOS1
SCHEMBL6862196 0.81 MCL1 (0.48) KDM4ELMNATRPV1PPARDRXRA
SCHEMBL6863893 0.81 TRPV1 (0.44) KDM4ELMNATRPV1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1582/4885LMNA 2967/4885TRPV1 376/4885

“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.