SCHEMBL4621035

SCHEMBL4621035

CC(=O)c1ccc(F)c(C)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.45
CES1 P23141 5/20 0.45
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL26771499 0.83 CES2 (0.50) CES2CES1MAOBMAOAPKM
SCHEMBL1192063 0.83 CES2 (0.45) CES2CES1SMN1; SMN2TSHR
SCHEMBL23112646 0.83 HPGD (0.41) CES2CES1MAOBMAOASMN1; SMN2
SCHEMBL29775631 0.82 CES2 (0.67) CES2CES1MAOBMAOAPKM
SCHEMBL671906 0.82 CES2 (0.67) CES2CES1MAOBMAOAPKM
SCHEMBL4622385 0.81 ALDH1A1 (0.47) CES2CES1MAOBMAOASMN1; SMN2
SCHEMBL26103998 0.81 MAPT (0.45) CES2CES1MAOBMAOASMN1; SMN2
SCHEMBL5488010 0.81 MAPT (0.43) MAOBMAOASMN1; SMN2KMT2AESR1
SCHEMBL8429426 0.79 HPGD (0.42) MAOBMAOATSHR
SCHEMBL31690101 0.79 SMN1; SMN2 (0.33) CES2CES1MAOBMAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458173-B2 Amides of 2-amino-4-arylthiazole compounds and their salts GLENMARK PHARMACEUTICALS S.A. (CH) 2016-10-04 US disclosed
US-20150111038-A1 AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-23 US disclosed
US-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-4870182-A 4-Hydroxy-quinoline-3-carboxylic BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4804760-A Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0245690-A1 Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AG (DE) 1987-11-19 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 (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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CES2 1479/4885CES1 2126/4885MAOB 313/4885
US-20150111038-A1 AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS AADAC, ABL2, ABL1 CES2 2844/4885CES1 4296/4885MAOB 1324/4885
US-20050054733-A1 Difluoroalkylaromatics NQO1, TYR, FLI1 CES2 141/4885CES1 961/4885MAOB 568/4885

“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.