SCHEMBL86712

SCHEMBL86712

CC(CCc1ccc(OCCCc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
S1PR1 P21453 3/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR3 Q99500 1/20 0.38
AAK1 Q2M2I8 11/20 0.38
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL79951 0.92 PPARD (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL86692 0.91 AAK1 (0.39) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL86443 0.91 AAK1 (0.39) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL86253 0.91 AAK1 (0.39) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL86787 0.88 AAK1 (0.41) PPARDS1PR1S1PR4S1PR5S1PR3
SCHEMBL86584 0.88 AAK1 (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL13851949 0.87 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR3AAK1
SCHEMBL79290 0.86 PPARG (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL79906 0.83 S1PR1 (0.40) PPARGPPARAS1PR1S1PR4S1PR5
SCHEMBL79907 0.83 S1PR1 (0.40) PPARGPPARAS1PR1S1PR4S1PR5

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C PPARG 1030/4885PPARD 1369/4885PPARA 601/4885

“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.