SCHEMBL5766471

SCHEMBL5766471

C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
TACR1 P25103 14/20 0.43
KCNH2 Q12809 6/20 0.40
IL6ST P40189 1/20 0.40
IDH1 O75874 4/20 0.39

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
SCHEMBL5766180 1.00 PPARA (0.44) PPARATACR1KCNH2IL6STIDH1
SCHEMBL7157004 0.86 PPARA (0.43) PPARATACR1IL6STIDH1
SCHEMBL7157008 0.86 PPARA (0.43) PPARATACR1IL6STIDH1
SCHEMBL7406075 0.86 PPARA (0.47) PPARAIL6STIDH1
SCHEMBL2206996 0.86 PPARA (0.47) PPARAIL6STIDH1
SCHEMBL7157009 0.84 PPARA (0.40) PPARAIL6STIDH1
SCHEMBL19923283 0.83 PPARA (0.44) PPARAIL6STIDH1
SCHEMBL12287709 0.83 PPARA (0.44) PPARAIL6STIDH1
SCHEMBL2560993 0.83 PPARA (0.44) PPARAIL6STIDH1
SCHEMBL2560997 0.83 PPARA (0.44) PPARAIL6STIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A PPARA 2294/4885TACR1 231/4885KCNH2 511/4885

“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.