SCHEMBL6335301

SCHEMBL6335301

CCCCCn1c(-c2ccc(SC(C)(C)C(=O)O)cc2)nc(C(=O)NCc2ccc(F)cc2F)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAOB P27338 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
MET P08581 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
P2RX7 Q99572 1/20 0.36
KLKB1 P03952 1/20 0.34
EPHX2 P34913 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
HMGCR P04035 1/20 0.34

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
SCHEMBL6328047 0.89 PPARG (0.41) PPARGPPARDPPARAMAOBMET
SCHEMBL6334752 0.87 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL6325585 0.85 PPARG (0.42) PPARGPPARDPPARAMAOBMET
SCHEMBL6335450 0.84 CNR2 (0.44) CNR1CNR2HMGCR
SCHEMBL6329041 0.84 PPARG (0.45) PPARGPPARDPPARACNR2
SCHEMBL6334908 0.84 PPARG (0.43) PPARGPPARDPPARACNR2
SCHEMBL6329921 0.83 PPARG (0.46) PPARGPPARDPPARACNR2
SCHEMBL6330344 0.81 PPARG (0.40) PPARGPPARDPPARACNR2
SCHEMBL6330556 0.79 PPARG (0.39) PPARGPPARDPPARAMAOBMET
SCHEMBL6335596 0.79 TRPV4 (0.41) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC PPARG 13/4885PPARD 55/4885PPARA 49/4885

“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.