SCHEMBL80424

SCHEMBL80424

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
S1PR1 P21453 5/20 0.37
S1PR4 O95977 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR3 Q99500 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
MTNR1B P49286 1/20 0.34
ADRB2 P07550 2/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL79408 0.96 S1PR1 (0.41) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL79272 0.95 S1PR1 (0.37) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80107 0.93 S1PR1 (0.37) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL81173 0.93 S1PR1 (0.39) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL79195 0.93 S1PR1 (0.37) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80868 0.93 PPARG (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL81897 0.93 S1PR1 (0.37) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80595 0.93 FFAR4 (0.37) S1PR1THRATHRBFFAR4LMNA
SCHEMBL79846 0.93 S1PR1 (0.35) PPARGPPARDPPARAS1PR1THRA
SCHEMBL80231 0.93 PPIA (0.39) PPARGPPARDPPARAS1PR1S1PR4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
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-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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-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.