Sugi Predict

Sugi Predict / Compounds / SCHEMBL2145992

SCHEMBL2145992

SCHEMBL2145992

CC(C)(C)OC(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL2590530 0.85 CA1 (0.45) CA1CA2CA12CA9CA14
SCHEMBL11431370 0.84 CYP3A4 (0.40) CA1CA2CA12CA9CA14
SCHEMBL25611100 0.82 CA1 (0.43) CA1CA2CA12CA9CA14
SCHEMBL109451 0.81 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL5502036 0.81 SLC7A5 (0.46) CA1CA2CA12CA9CA14
SCHEMBL445414 0.80 RAB9A (0.58) CA1CA2CA12CA9CA14
SCHEMBL12369105 0.80 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL23865008 0.79 CA1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL22010015 0.79 CA1 (0.49) CA1CA2CA12CA9CA14
Hydrazine SCHEMBL10771056 0.77 CA12 (0.62) CA1CA2CA12CA9CA14

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618199-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI F (JP) 2013-12-31 — — US claimed
US-9644052-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORPORATION (JP) 2017-05-09 — — US disclosed
EP-3083595-A1 PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 — — EP disclosed
US-20150259452-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2015-09-17 — — US disclosed
WO-2015091988-A1 PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 — — WO disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
US-8987362-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORP (JP) 2015-03-24 — — US disclosed
US-20140100339-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2014-04-10 — — US disclosed
US-8618199-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI F (JP) 2013-12-31 — — US disclosed
US-20130102736-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI (JP) 2013-04-25 — — US disclosed
WO-2011083304-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-07-14 — — WO disclosed
US-20100099826-A1 FUNTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI 2010-04-22 — — US disclosed
US-7642322-B2 such as 4,4'-bis(N,N-dimethylamino)benzophenone, 4,4'-bis(N,N-diethylamino)benzophenone; living polymers; lanthanide-based polymerization catalysts BRIDGESTONE CORPORATION (JP) 2010-01-05 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
US-20060004131-A1 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI 2006-01-05 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
EP-0009762-B1 SUBSTITUTED N-BENZOYL-N'-TERT.-ALCOXYCARBONYLPHENYL(THIO)UREAS, METHODS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1981-08-05 — — EP disclosed
US-4234600-A Combating arthropods with N-benzoyl-N'-tert.-alkoxycarbonylphenyl-(thio) ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 — — US disclosed
EP-0009762-A1 Substituted N-benzoyl-N'-tert.-alcoxycarbonylphenyl(thio)ureas, methods for their preparation and their use as insecticides BAYER AG (DE) 1980-04-16 — — 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA1 3493/4885CA2 1853/4885CA12 1998/4885

“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.