SCHEMBL1357425

SCHEMBL1357425

O=c1oc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(CCO)c1-c1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.46
▸ ESR2 Q92731 3/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ STS P08842 3/20 0.39
▸ AR P10275 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL5111890 0.84 ESR1 (0.58) ESR1ESR2HSD17B3
SCHEMBL5123944 0.81 ESR1 (0.56) ESR1ESR2HSD17B3
SCHEMBL27643511 0.80 ESR1 (0.58) ESR1ESR2HSD17B3
SCHEMBL12137353 0.78 ESR1 (0.47) ESR1ESR2HSD17B3
SCHEMBL5111169 0.77 TP53 (0.53) ESR1ESR2HSD17B3
SCHEMBL26769481 0.77 PDE2A (0.60) ESR1ESR2HSD11B1STSNPC1
SCHEMBL5116838 0.77 MEN1 (0.51) ESR1ESR2NPC1
SCHEMBL1357283 0.77 ESR1 (0.48) ESR1ESR2HSD17B3
SCHEMBL1357338 0.74 ALDH1A1 (0.44) ESR1HSD11B1NPC1
SCHEMBL5113467 0.72 NQO1 (0.49) ESR1ESR2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 — — US disclosed
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 — — US disclosed
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 — — US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 — — US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 — — US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 — — US disclosed
EP-1846386-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 — — EP disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — US disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — US disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — US disclosed
WO-2006078833-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 — — WO 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 (2 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-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS KCNJ2, KCNN3, KCNN2 ESR1 3463/4885ESR2 2401/4885HSD11B1 4299/4885
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity KCNN2, KCNH3, KCNN1 ESR1 226/4885ESR2 162/4885HSD11B1 1139/4885

“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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