SCHEMBL16449097

SCHEMBL16449097

COC(=O)C[C@@H]1COc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.50
PPARG P37231 13/20 0.50
PPARD Q03181 13/20 0.50
PPARA Q07869 1/20 0.47

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
SCHEMBL16123797 1.00 FFAR1 (0.50) FFAR1PPARGPPARDPPARA
SCHEMBL18526217 1.00 FFAR1 (0.50) FFAR1PPARGPPARDPPARA
SCHEMBL10011429 0.90 PPARD (0.62) FFAR1PPARGPPARDPPARA
SCHEMBL2691621 0.84 PPARD (0.54) FFAR1PPARGPPARDPPARA
SCHEMBL29046597 0.83 PPARD (0.48) FFAR1PPARGPPARDPPARA
SCHEMBL29046573 0.83 PPARD (0.48) FFAR1PPARGPPARDPPARA
SCHEMBL16123779 0.82 FFAR1 (0.70) FFAR1
SCHEMBL15287408 0.79 FFAR1 (0.53) FFAR1
SCHEMBL13110373 0.78 FFAR1 (0.62) FFAR1PPARGPPARDPPARA
SCHEMBL21178299 0.78 PPARG (0.38) FFAR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-8952185-B2 Production method of optically active dihydrobenzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-10 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 (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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L FFAR1 4612/4885PPARG 4069/4885PPARD 4139/4885

“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.