SCHEMBL1138889

SCHEMBL1138889

COC(=O)c1ccc(COc2cc(C(F)(F)F)ccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.55
▸ RXRA P19793 2/20 0.53
▸ RXRB P28702 2/20 0.53
▸ RXRG P48443 2/20 0.53
▸ CFTR P13569 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ AR P10275 1/20 0.48
▸ MAOB P27338 3/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL7345433 0.82 MAPT (0.56) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1139279 0.81 RAB9A (0.56) MRGPRX4MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL509652 0.79 MAOB (0.74) MRGPRX4RXRARXRBMAPTSMN1; SMN2
SCHEMBL6709526 0.79 MAOB (0.74) MRGPRX4RXRARXRBMAPTSMN1; SMN2
SCHEMBL5805287 0.78 HPGD (0.58) RXRAMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL13017388 0.78 CA1 (0.53) CFTRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7260487 0.78 AR (0.62) MRGPRX4MAPTSMN1; SMN2CYP3A4RAB9A
SCHEMBL3918382 0.77 HTR2C (0.56) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL20504284 0.77 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL19900151 0.77 MAPT (0.50) MRGPRX4RXRACFTRMAPTCYP1A2

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
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP disclosed
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 — — EP disclosed
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 MRGPRX4 361/4885RXRA 1529/4885RXRB 2173/4885

“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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