SCHEMBL334657

SCHEMBL334657

COC(=O)Cc1cccc(CNC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48

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
SCHEMBL334666 0.95 PPARG (0.53) PPARGPPARDPPARASMN1; SMN2HRH3
SCHEMBL334834 0.87 PPARG (0.62) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL334835 0.87 PPARG (0.53) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL10221023 0.85 PPARD (0.61) PPARGPPARDPPARASMN1; SMN2HRH3
SCHEMBL334683 0.83 PPARG (0.53) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL334833 0.83 PPARD (0.53) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL333917 0.82 PPARD (0.62) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL10219860 0.82 PPARD (0.58) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL10219871 0.81 PPARD (0.63) PPARGPPARDPPARASMN1; SMN2HCRTR1
SCHEMBL4637823 0.80 PPARD (0.45) PPARGPPARDPPARASMN1; SMN2HCRTR1

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 8 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
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN 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.