SCHEMBL1138887

SCHEMBL1138887

COCOc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MASP2 O00187 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL10185070 0.87 KDM4E (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL31053807 0.87 KDM4E (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL23144086 0.83 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL29811691 0.83 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2369186 0.81 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL17027166 0.81 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL31053827 0.79 POLB (0.43) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25027181 0.79 POLB (0.43) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17027164 0.79 HPD (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25025001 0.78 MAPT (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19

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
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 ALDH1A1 1159/4885MAPT 4870/4885CYP1A2 295/4885

“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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