SCHEMBL6861113

SCHEMBL6861113

CCC(CC(C)C)S(=O)(=O)Nc1ccc(C)cc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
CYP19A1 P11511 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PAX8 Q06710 1/20 0.42
RXRA P19793 6/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL6862781 0.92 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL6863842 0.87 RXRA (0.46) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6862656 0.87 KDM4E (0.47) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6860619 0.87 RXRA (0.51) RXRARXRBRXRGMRGPRX4
SCHEMBL6862614 0.87 KDM4E (0.42) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6862319 0.87 KDM4E (0.44) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6862218 0.86 KDM4E (0.49) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6862747 0.85 KDM4E (0.44) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL6862351 0.84 KDM4E (0.40) KDM4ECYP19A1NPC1RAB9AALDH1A1
SCHEMBL6862162 0.83 KDM4E (0.40) KDM4ECYP19A1NPC1RAB9AALDH1A1

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 6 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
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
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 1582/4885CYP19A1 629/4885NPC1 2634/4885

“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.