SCHEMBL6329921

SCHEMBL6329921

CCCCCCn1c(-c2ccc(SC(C)(C)C(=O)O)cc2)nc(C(=O)Nc2ccc(F)cc2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
MAPT P10636 1/20 0.36
SMPD1 P17405 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
CNR2 P34972 2/20 0.34
NR1I2 O75469 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
SCHEMBL6329041 0.99 PPARG (0.45) PPARGPPARAPPARDALDH1A1MAPK1
SCHEMBL6334752 0.93 PPARG (0.53) PPARGPPARAPPARDALDH1A1TRPV4
SCHEMBL6334908 0.93 PPARG (0.43) PPARGPPARAPPARDALDH1A1TRPV4
SCHEMBL6327220 0.91 RORC (0.38) PPARGPPARAPPARDALDH1A1TRPV4
SCHEMBL6328743 0.90 PPARG (0.38) PPARGPPARAPPARDTRPV4MAPT
SCHEMBL6326601 0.90 PPARG (0.38) PPARGPPARAPPARDALDH1A1MAPK1
SCHEMBL6329990 0.90 NPY1R (0.38) PPARGPPARAPPARDALDH1A1TRPV4
SCHEMBL6330468 0.89 PPARG (0.37) PPARGPPARAPPARDTRPV4MAPT
SCHEMBL6327387 0.89 NPY1R (0.39) PPARGPPARAPPARDALDH1A1TRPV4
SCHEMBL6328165 0.89 PPARG (0.47) PPARGPPARAPPARDTRPV4MEN1

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 13/4885PPARA 49/4885PPARD 55/4885

“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.