SCHEMBL289489

SCHEMBL289489

CCCC(=O)C(Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL873970 0.86 ALDH1A1 (0.46) TSHRCES2CES1ALDH1A1AKR1B1
SCHEMBL10471783 0.84 CES2 (0.52) TSHRCES2TDP1ALDH1A1AKR1B1
SCHEMBL15277221 0.80 TSHR (0.42) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL901650 0.79
SCHEMBL2418243 0.76
Succinic Acid SCHEMBL11510947 0.75 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL1920127 0.75 ALDH1A1 (0.39) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL2720085 0.74
SCHEMBL4940589 0.74 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL11458916 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466254-A Inhibitor and preparation method thereof 安庆研至医药科技有限公司 2022-12-13 CN claimed
CN-112662639-B Short-chain alcohol dehydrogenase and application thereof 江南大学 2022-05-24 CN claimed
CN-111518104-B 1,2, 4-triazolo [1,5-a ] pyrimidine compound containing thiourea pyrimidine and preparation method and application thereof 河北农业大学 2022-04-15 CN claimed
CN-109456192-B Synthetic method of oxiracetam intermediate 4-ethyl chloroacetoacetate 深圳市第二人民医院 2022-04-01 CN claimed
CN-109704971-B Preparation method of ethyl 4-chloroacetoacetate 江苏恒安化工有限公司 2022-04-01 CN claimed
US-20210198129-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
US-20210197116-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
EP-3840858-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
EP-3840857-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
CN-109232314-B Synthesis method of polysubstituted 2-cyclopentenyl ethyl acetate compound 河南理工大学 2021-04-06 CN claimed
US-20150353541-A1 Novel intermediate and polymorphs of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetra hydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide and process thereof THIRUMALAI RAJAN SRINIVASAN (US) 2015-12-10 US claimed
WO-2014108919-A2 NOVEL INTERMEDIATE AND POLYMORPHS OF 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-c] PYRIDINE-3-CARBOXAMIDE AND PROCESS THEREOF MSN LABORATORIES LIMITED (IN) 2014-07-17 WO claimed
WO-2014057461-A1 PROCESS FOR THE PREPARATION OF CRYSTALLINE FORM G OF FEBUXOSTAT RANBAXY LABORATORIES LIMITED (IN) 2014-04-17 WO claimed
EP-2386548-A2 Preparation of thionamides Abbott Laboratories (US) 2011-11-16 EP claimed
US-7541475-B2 Substituted thiazoles ABBOTT LABORATORIES (US) 2009-06-02 US claimed
JP-2007500724-A 2007-01-18 JP claimed
EP-1651624-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES Abbott Laboratories (US) 2006-05-03 EP claimed
US-20050075503-A1 Substituted thiazoles ABBVIE INC. 2005-04-07 US claimed
WO-2005012273-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES ABBOTT LABORATORIES (US) 2005-02-10 WO claimed
US-20050027128-A1 Substituted thiazoles ABBOTT LABORATORIES 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050027128-A1 Substituted thiazoles XDH, TH, TPI1 HDAC1 743/4885HDAC2 938/4885HDAC3 1189/4885
US-20050075503-A1 Substituted thiazoles XDH, TH, TPI1 HDAC1 743/4885HDAC2 938/4885HDAC3 1189/4885
US-20150353541-A1 Novel intermediate and polymorphs of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetra hydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide and process thereof CYP3A4, CYP4B1, CYP1A1 HDAC1 382/4885HDAC2 460/4885HDAC3 523/4885

“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.