SCHEMBL80548

SCHEMBL80548

CC[C@@](CCc1ccc(OCCCc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1)(COP(=O)(Cc1ccccc1)Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
S1PR1 P21453 8/20 0.39
S1PR4 O95977 6/20 0.39
S1PR5 Q9H228 6/20 0.39
S1PR3 Q99500 6/20 0.39
MMP12 P39900 1/20 0.36
MTNR1B P49286 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PLA2G4A P47712 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL80549 1.00 PPARD (0.40) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL81199 0.95 S1PR1 (0.38) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL81200 0.95 S1PR1 (0.38) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL86555 0.92 S1PR1 (0.40) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL86358 0.88 S1PR1 (0.38) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL86729 0.88 S1PR1 (0.38) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL80080 0.86 S1PR1 (0.39) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL2463693 0.84 S1PR1 (0.50) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL80239 0.83 MRGPRX4 (0.38) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL80550 0.83 PPARG (0.36) PPARDPPARAPPARGS1PR1S1PR4

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
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-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

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 PPARD 1369/4885PPARA 601/4885PPARG 1030/4885

“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.