SCHEMBL508251

SCHEMBL508251

OB(O)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.46
ENPP2 Q13822 2/20 0.46
KMO O15229 2/20 0.45
SLC1A5 Q15758 2/20 0.40
MGLL Q99685 2/20 0.38
SCN9A Q15858 2/20 0.37
ABL1 P00519 1/20 0.36
S100A9 P06702 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL30974159 0.87 ENPP2 (0.40) TTRENPP2KMOSLC1A5SCN9A
SCHEMBL29955486 0.86 TTR (0.42) TTRENPP2KMOMGLLABL1
SCHEMBL2409490 0.86 TTR (0.42) TTRENPP2KMOMGLLABL1
SCHEMBL29953648 0.80 MGLL (0.39) TTRENPP2MGLLABL1
SCHEMBL491621 0.80 EPHX2 (0.50) MGLLABL1
SCHEMBL641972 0.79 SCN5A (0.39) ENPP2MGLLABL1
SCHEMBL21381971 0.79 MGLL (0.38) TTRENPP2MGLLABL1
SCHEMBL2562682 0.78 ENPP2 (0.52) TTRENPP2MGLL
SCHEMBL20638904 0.77 ENPP2 (0.41) ENPP2MGLLABL1
SCHEMBL29953216 0.77 ENPP2 (0.41) ENPP2MGLLABL1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-05-28 US disclosed
CN-117126152-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-28 CN disclosed
CN-117126151-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-28 CN disclosed
CN-117069713-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 CN disclosed
CN-117069712-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 CN disclosed
CN-117024420-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-10 CN disclosed
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
EP-3741757-B1 DIHYDROINDOLIZINONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2023-07-26 EP disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed
EP-1756064-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005121097-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-12-22 WO disclosed
WO-2005121097-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-12-22 WO disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP TTR 1194/4885ENPP2 976/4885KMO 1610/4885
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance GOT2, GOT1, IAPP TTR 369/4885ENPP2 4038/4885KMO 1670/4885
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C TTR 2194/4885ENPP2 1383/4885KMO 802/4885

“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.