SCHEMBL6795753

SCHEMBL6795753

FC(F)(F)COc1ccc(OCCCBr)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.53
PPARG P37231 7/20 0.49
PPARD Q03181 7/20 0.49
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4456784 0.85 PPARA (0.53) PPARAPPARGPPARDMEN1MAPT
SCHEMBL10801456 0.84 PPARA (0.52) PPARAPPARGPPARDCYP2C9
SCHEMBL8536866 0.78 MAPT (0.51) PPARAMEN1MAPTHTTKMT2A
SCHEMBL7079486 0.77 PPARA (0.58) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL10800881 0.76 PPARA (0.50) PPARAPPARGPPARDCYP2C9
SCHEMBL9459574 0.75 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3723171 0.75 CYP2C9 (0.43) PPARAPPARGPPARDMEN1MAPT
SCHEMBL28012956 0.75 MRGPRX4 (0.46) PPARAPPARGMEN1MAPTHTT
SCHEMBL7079111 0.75 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL24102063 0.74 KDM4E (0.44) PPARAPPARGPPARDMEN1MAPT

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
US-6713508-B2 SUCH AS 7-(3-(3-TRIFLUOROMETHYL-7-PROPYL-6-BENZ-(4,5)-ISOXAZOLOXY)PROPOXY)-2 -ETHYLCHROMANE-2-CARBOXYLIC ACID WHICH ARE POTENT AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MERCK & CO., INC. 2004-03-30 US disclosed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-08-01 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-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.