SCHEMBL5483321

SCHEMBL5483321

CC(C)(Oc1ccc(CNC(=O)CCC#Cc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.50
PPARD Q03181 5/20 0.50
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
ACACB O00763 1/20 0.44
PPARG P37231 4/20 0.44
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL5482649 0.88 PPARA (0.44) PPARAPPARDEPHX2NR1H4ACACB
SCHEMBL5495786 0.81 POLB (0.49) PPARAEPHX2NR1H4ACACBPPARG
SCHEMBL5486690 0.81 PPARA (0.44) PPARAPPARDACACBPPARG
SCHEMBL5495781 0.81 EPHX2 (0.47) PPARAEPHX2NR1H4ACACBPPARG
SCHEMBL3873472 0.79 ACACB (0.45) EPHX2NR1H4ACACBLMNA
SCHEMBL3874682 0.75 FFAR1 (0.52) EPHX2ACACB
SCHEMBL3870646 0.75 GABRP (0.51) EPHX2ACACBLMNA
SCHEMBL3877705 0.74 ACACB (0.51) EPHX2ACACBLMNA
SCHEMBL933617 0.74 EPHX2 (0.58) PPARAPPARDEPHX2NR1H4PPARG
SCHEMBL8594554 0.73 EPHX2 (0.63) PPARAEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP claimed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO claimed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US claimed
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885EPHX2 1651/4885

“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.