SCHEMBL334666

SCHEMBL334666

COC(=O)Cc1cccc(CNC2CCN(c3nc4ccc(Cl)cc4s3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.53
PPARD Q03181 11/20 0.53
PPARA Q07869 9/20 0.53
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL334657 0.95 PPARG (0.56) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL10221023 0.91 PPARD (0.61) PPARGPPARDPPARASMN1; SMN2MAPT
SCHEMBL333917 0.87 PPARD (0.62) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL334834 0.84 PPARG (0.62) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL334835 0.84 PPARG (0.53) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL334683 0.80 PPARG (0.53) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL334833 0.80 PPARD (0.53) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL334141 0.80 PPARG (0.48) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL10219860 0.79 PPARD (0.58) PPARGPPARDPPARAHCRTR1HCRTR2
SCHEMBL4637823 0.79 PPARD (0.45) PPARGPPARDPPARAHCRTR1HCRTR2

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 7 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-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
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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.