SCHEMBL3594049

SCHEMBL3594049

CCOC(=O)/C=C/C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.56
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.40
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MDM2 Q00987 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1879178 1.00 HCAR2 (0.56) HCAR2MAPTNPSR1CA12CA1
SCHEMBL23666175 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL30873909 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL1886588 0.83 HCAR2 (0.59) HCAR2MAPTNPSR1ALDH1A1ATM
SCHEMBL17285584 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL22428831 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL4184914 0.81 HCAR2 (0.50) HCAR2MAPTNPSR1CA12CA1
SCHEMBL17518625 0.81 HCAR2 (0.50) HCAR2MAPTNPSR1CA12CA1
SCHEMBL4194175 0.81 HCAR2 (0.50) HCAR2MAPTNPSR1CA12CA1
SCHEMBL4194178 0.81 HCAR2 (0.50) HCAR2MAPTNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630498-B2 Arylamides and methods of use thereof GENZYME CORPORATION (US) 2026-05-19 US disclosed
CN-117417355-A Fused heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-01-19 CN disclosed
US-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 US disclosed
US-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 US disclosed
US-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 US disclosed
US-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-11 US disclosed
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 US disclosed
US-9925204-B2 Anti-inflammatory compounds in combination with hydrogen for the treatment of inflammation KAWAI TOSHIHISA (US) 2018-03-27 US disclosed
WO-1998003167-A1 ISOBUTYLGABA AND ITS DERIVATIVES FOR THE TREATMENT OF PAIN WARNER-LAMBERT COMPANY (US) 1998-01-29 WO disclosed
US-5710304-A 5-METHYL-3((((4-METHYLPHENYL)SULFONYL)OXY)-METHYL)-HEXANOIC ACID ESTER CHEMICAL INTERMEDIATES NORTHWESTERN UNIVERSITY (US) 1998-01-20 US disclosed
US-5684189-A HYDROLYZING AN AZIDE TO FORM AN INTERMEDIATE AZIDE, EXTRACTING THE INTERMEDIATE AZIDE INTO AN AQUEOUS BASE AND REDUCING THE AZIDE TO AN AMINE NORTHWESTERN UNIVERSITY (US) 1997-11-04 US disclosed
EP-0641330-A4 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT. UNIV NORTHWESTERN (US) 1997-05-28 EP disclosed
US-5608090-A ANTICONVULSANTS NORTHWESTERN UNIVERSITY (US) 1997-03-04 US disclosed
US-5599973-A REACTING ACID CHLORIDE WITH SUBSTITUTED 2-OXAZOLIDINONE AND BUTYLLITHIUM, THEN BENZYL ALPHA-BROMOACETATE, HYDROGEN PEROXIDE, LITHIUM OXIDE, SODIUM METABISULFITE, BORANE DIMETHYL SULFIDE, THEN TOSYLATION, AZIDE FORMATION, AMINATION NORTHWESTERN UNIVERSITY (US) 1997-02-04 US disclosed
US-5563175-A GAMMAAMINOBUTYRIC ACID DERIVATIVE; NERVOUS SYSTEM DISORDERS NORTHWESTERN UNIVERSITY (US) 1996-10-08 US disclosed
EP-0641330-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1995-03-08 EP disclosed
WO-1993023383-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1993-11-25 WO disclosed
WO-1992009560-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1992-06-11 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 (5 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-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, CYP51A1, CYP4F11 HCAR2 1795/4885MAPT 3045/4885NPSR1 1495/4885
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP4A11, CYP51A1, CYP4F11 HCAR2 362/4885MAPT 4454/4885NPSR1 734/4885
US-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF CFTR, AADAC, ARSA HCAR2 2348/4885MAPT 4871/4885NPSR1 3818/4885
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK HCAR2 3800/4885MAPT 4332/4885NPSR1 4378/4885
US-12630498-B2 Arylamides and methods of use thereof CFTR, CLIC1, CLCN2 HCAR2 1184/4885MAPT 4884/4885NPSR1 1993/4885

“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.