SCHEMBL10219985

SCHEMBL10219985

Cc1cc(O)cc(CN2[C@H](C)CN(c3nc4cc(F)c(C(F)(F)F)cc4s3)C[C@@H]2C)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.47
PPARG P37231 10/20 0.47
PPARA Q07869 9/20 0.47
CXCR3 P49682 7/20 0.35
NAAA Q02083 1/20 0.34

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
SCHEMBL10219981 0.89 PPARD (0.59) PPARDPPARGPPARACXCR3
SCHEMBL10271855 0.89 PPARD (0.44) PPARDPPARGPPARANAAA
SCHEMBL10219483 0.86 PPARD (0.46) PPARDPPARGPPARACXCR3NAAA
SCHEMBL10219947 0.84 PPARD (0.62) PPARDPPARGPPARANAAA
SCHEMBL10220330 0.84 PPARD (0.51) PPARDPPARGPPARACXCR3NAAA
SCHEMBL10219988 0.82 PPARD (0.48) PPARDPPARGPPARACXCR3NAAA
SCHEMBL10220100 0.82 PPARD (0.44) PPARDPPARGPPARACXCR3NAAA
SCHEMBL10271124 0.82 PPARG (0.47) PPARDPPARGPPARANAAA
SCHEMBL10219983 0.81 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL10219945 0.79 NPC1 (0.46) PPARDPPARGPPARA

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 3 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-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 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.