SCHEMBL4896410

SCHEMBL4896410

Cc1sc(-c2ccc(-c3ccccc3)nc2)nc1CCOc1[c]c(C(N)C(=O)OC(C)C)ccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.38
PPARA Q07869 16/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR9 Q9NR96 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 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
SCHEMBL6428824 0.79 PPARG (0.44) PPARGPPARA
SCHEMBL4893432 0.78 PPARG (0.46) PPARGPPARA
SCHEMBL5359040 0.76 PPARG (0.52) PPARGPPARA
SCHEMBL5731023 0.75 ADORA2A (0.37) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL4896309 0.74 PPARG (0.49) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL5359236 0.73 PPARG (0.40) PPARGPPARA
SCHEMBL5354283 0.73 PPARG (0.45) PPARGPPARA
SCHEMBL5351106 0.72 PPARG (0.40) PPARGPPARA
SCHEMBL5729979 0.72 PPARG (0.45) PPARGPPARAMAPTRARARARB
SCHEMBL4889260 0.71 RARA (0.41) PPARGPPARAKDM4EALDH1A1RARA

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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US claimed

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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885KDM4E 4175/4885

“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.