SCHEMBL4801616

SCHEMBL4801616

CCN(CC(=O)O)c1cc2onc(CCc3sc(-c4ccccc4C(F)(F)F)nc3C(C)C)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
PPARG P37231 6/20 0.52
NR1H4 Q96RI1 2/20 0.32
CRHR1 P34998 2/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL4801612 0.88 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL4024977 0.83 PPARD (0.54) PPARDPPARAPPARGNR1H4CYP1A2
SCHEMBL4026350 0.83 PPARD (0.54) PPARDPPARAPPARGNR1H4KMO
SCHEMBL3393036 0.83 PPARD (0.62) PPARDPPARAPPARGNR1H4CYP3A4
SCHEMBL4033028 0.83 PPARG (0.54) PPARDPPARAPPARGUSP2CYP1A2
SCHEMBL4025440 0.81 PPARA (0.77) PPARDPPARAPPARGKMO
SCHEMBL4034567 0.81 PPARG (0.53) PPARDPPARAPPARGCRHR1USP2
SCHEMBL4028015 0.81 PPARG (0.54) PPARDPPARAPPARGCYP1A2CYP3A4
SCHEMBL4803370 0.81 PPARG (0.52) PPARDPPARAPPARGNR1H4
SCHEMBL4803451 0.81 PPARD (0.59) PPARDPPARAPPARGNR1H4KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402597-B2 Activator of peroxisome proliferator-activated receptor δ NIPPON CHEMIPHAR CO., LTD (JP) 2008-07-22 US disclosed
US-20070027196-A1 Activator of peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2007-02-01 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-20070027196-A1 Activator of peroxisome proliferator-activated receptor delta PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.