Sugi Predict

Sugi Predict / Compounds / SCHEMBL131249

SCHEMBL131249

SCHEMBL131249

CCOC(=O)c1[c]c(C(=O)OCC)ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.57
▸ CA1 P00915 6/20 0.57
▸ CA2 P00918 6/20 0.57
▸ CA7 P43166 6/20 0.57
▸ CA9 Q16790 6/20 0.57
▸ CA14 Q9ULX7 6/20 0.57
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 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
SCHEMBL9196323 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6784218 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9181001 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6847160 0.87 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL27556991 0.86 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6948522 0.84 ALDH1A1 (0.58) TSHRALDH1A1HSD17B10ESR1LMNA
SCHEMBL9201140 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL27349155 0.82 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6946454 0.81 TSHR (0.61) TSHRCYP1A2ALDH1A1HSD17B10ESR1
SCHEMBL3667955 0.81 CA1 (0.46) 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 — — US claimed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 — — US claimed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 — — EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 — — US disclosed
US-8350995-B2 Optical film, production method of optical film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-01-08 — — US disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 — — US disclosed
CN-101326044-B Polarizing plate protective film, method for producing film, polarizing plate, and liquid crystal display device KONICA MINOLTA OPTO INC 2012-05-23 — — CN disclosed
US-8147638-B2 Polarizing plate and display using the same KONICA MINOLTA OPTO INC. (JP) 2012-04-03 — — US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 — — EP disclosed
US-20110155306-A1 POLARIZING PLATE AND DISPLAY USING THE SAME KONICA MINOLTA OPTO, INC. (JP) 2011-06-30 — — US disclosed
US-7968019-B2 Optical compensation film, method for producing optical compensation film, polarization plate and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2011-06-28 — — US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 — — US disclosed
EP-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 — — EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 — — EP disclosed
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 — — US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 — — US disclosed
US-4839348-A HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-13 — — US disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 — — EP disclosed
CN-86106242-A 2-sulphomethyl-replacement-1,4-dihydropyridine, its manufacture method and the pharmaceutical composition that contains these compounds — 1987-05-13 — — CN disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 — — 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 (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-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP CA12 4586/4885CA1 3746/4885CA2 4285/4885

“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.