SCHEMBL6301547

SCHEMBL6301547

CCOC(=O)c1ccc(C)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
ALDH1A1 P00352 4/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
HSD17B2 P37059 1/20 0.53
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HCRTR1 O43613 2/20 0.49
DHODH Q02127 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL20267364 0.88 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3256021 0.87 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL11033931 0.86 HPGD (0.44) CA12CA1CA2CA7CA9
SCHEMBL3258137 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL29955274 0.85 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL27371998 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1760466 0.84 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL661487 0.84 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL31194402 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL571193 0.83 CA12 (0.65) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023048034-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP 東レ・ファインケミカル株式会社 2023-03-30 WO disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US disclosed
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP disclosed
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed
EP-0093488-A2 Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-09 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 (6 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 CA12 1098/4885CA1 2244/4885CA2 87/4885
US-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 CA12 1722/4885CA1 3416/4885CA2 912/4885
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 CA12 4203/4885CA1 4328/4885CA2 3485/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 CA12 3761/4885CA1 3759/4885CA2 3522/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM CA12 2403/4885CA1 2284/4885CA2 165/4885
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 CA12 3761/4885CA1 3759/4885CA2 3522/4885

“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.