SCHEMBL6327220

SCHEMBL6327220

CCCCCn1c(-c2ccc(SC(C)(C)C(=O)O)cc2)nc(C(=O)Nc2ccc(C)cc2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
CNR2 P34972 3/20 0.38
PLK1 P53350 2/20 0.37
PPARD Q03181 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL6326578 0.93 MAPT (0.39) RORCPPARGPPARACNR2PLK1
SCHEMBL6329041 0.92 PPARG (0.45) PPARGPPARACNR2PPARDMAPT
SCHEMBL6327387 0.92 NPY1R (0.39) PPARGPPARACNR2PPARDMAPT
SCHEMBL6330468 0.92 PPARG (0.37) PPARGPPARACNR2PPARDMAPT
SCHEMBL6328165 0.91 PPARG (0.47) RORCPPARGPPARACNR2PPARD
SCHEMBL6329921 0.91 PPARG (0.46) PPARGPPARACNR2PPARDMAPT
SCHEMBL6329990 0.91 NPY1R (0.38) PPARGPPARACNR2PPARDMAPT
SCHEMBL6328743 0.91 PPARG (0.38) PPARGPPARACNR2PPARDMAPT
SCHEMBL6330344 0.91 PPARG (0.40) RORCPPARGPPARACNR2PLK1
SCHEMBL6328398 0.90 PPARG (0.42) PPARGPPARAPPARDTP53MEN1

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 RORC 441/4885PPARG 13/4885PPARA 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.