SCHEMBL10220274

SCHEMBL10220274

C[C@H]1CN(Cc2cccc(OCC(=O)O)c2)CCN1c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.70
PPARG P37231 14/20 0.70
PPARA Q07869 13/20 0.70
MGLL Q99685 2/20 0.45
CSNK1D P48730 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL10221664 0.90 PPARD (0.71) PPARDPPARGPPARACSNK1D
SCHEMBL10221691 0.90 PPARD (0.56) PPARDPPARGPPARA
SCHEMBL10220292 0.90 PPARD (0.81) PPARDPPARGPPARAPTGDR2
SCHEMBL10271972 0.89 PPARD (0.65) PPARDPPARGPPARACSNK1D
SCHEMBL10221815 0.89 PPARD (0.60) PPARDPPARGPPARACSNK1D
SCHEMBL10221639 0.89 PPARD (0.72) PPARDPPARGPPARACSNK1D
SCHEMBL10220433 0.89 PPARD (0.85) PPARDPPARGPPARAMGLLCSNK1D
SCHEMBL10220403 0.89 PPARD (0.85) PPARDPPARGPPARAMGLLCSNK1D
SCHEMBL10220445 0.89 PPARD (0.85) PPARDPPARGPPARAMGLLCSNK1D
SCHEMBL10221630 0.88 PPARD (0.61) PPARDPPARGPPARACSNK1D

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.