SCHEMBL10220344

SCHEMBL10220344

Cc1ccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1OCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.73
PPARG P37231 15/20 0.64
PPARA Q07869 12/20 0.64
CYP3A4 P08684 1/20 0.60
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51

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
SCHEMBL10220347 0.93 PPARD (0.63) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL10220045 0.91 PPARD (0.65) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL10220355 0.90 PPARD (0.60) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL14143860 0.88 PPARD (0.66) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL10220342 0.87 PPARD (0.59) PPARDPPARGPPARANPC1RAB9A
SCHEMBL14144161 0.87 PPARD (0.64) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL335651 0.86 PPARD (0.64) PPARDPPARGPPARACYP3A4NPC1
SCHEMBL10220794 0.84 PPARD (1.00) PPARDPPARGPPARACYP3A4
SCHEMBL10220233 0.84 PPARD (0.66) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334520 0.84 PPARD (0.63) PPARDPPARGPPARANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885PPARG 3/4885PPARA 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.