SCHEMBL80081

SCHEMBL80081

CC(CCc1ccc(OCCCc2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1)(CO[PH](=O)C(Cc1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
PPARG P37231 3/20 0.33
S1PR1 P21453 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
NR1H3 Q13133 1/20 0.31
P2RX7 Q99572 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SCN9A Q15858 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL81201 0.91 S1PR1 (0.33) AAK1PPARDPPARAPPARGS1PR1
SCHEMBL80550 0.86 PPARG (0.36) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL86715 0.83 S1PR1 (0.39) AAK1PPARDPPARAPPARGS1PR1
SCHEMBL80080 0.83 S1PR1 (0.39) AAK1PPARDPPARAPPARGS1PR1
SCHEMBL2463695 0.80 S1PR1 (0.46) PPARDPPARAPPARGS1PR1S1PR4
SCHEMBL79822 0.79 S1PR1 (0.35) AAK1S1PR1S1PR4S1PR3S1PR5
SCHEMBL78876 0.76 ITGB3 (0.39) PPARGS1PR1ITGB3ITGA2B
SCHEMBL81199 0.76 S1PR1 (0.38) AAK1PPARDPPARAPPARGS1PR1
SCHEMBL81200 0.76 S1PR1 (0.38) AAK1PPARDPPARAPPARGS1PR1
SCHEMBL86358 0.75 S1PR1 (0.38) 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 AAK1 2926/4885PPARD 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.