SCHEMBL10219849

SCHEMBL10219849

COC(=O)c1cccc(SCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARD Q03181 6/20 0.51
PPARA Q07869 5/20 0.51
KMT2A Q03164 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 4/20 0.48
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PCSK9 Q8NBP7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PABPC1 P11940 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL10219870 0.92 PPARG (0.56) PPARGPPARDPPARAKMT2ANPC1
SCHEMBL10220134 0.90 PPARG (0.54) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219860 0.87 PPARD (0.58) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10220138 0.83 PPARD (0.68) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10220148 0.81 PPARG (0.59) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219871 0.79 PPARD (0.63) PPARGPPARDPPARANPC1RAB9A
SCHEMBL334186 0.78 NPC1 (0.55) PPARDKMT2ANPC1RAB9AHCRTR1
SCHEMBL10220783 0.76 PPARG (0.52) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219848 0.76 PPARG (0.59) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219402 0.75 HCRTR1 (0.56) PPARDKMT2ANPC1RAB9AHCRTR1

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 PPARG 3/4885PPARD 1/4885PPARA 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.