SCHEMBL80319

SCHEMBL80319

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.39
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
AAK1 Q2M2I8 8/20 0.34
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
MTNR1B P49286 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
SCHEMBL79557 1.00 S1PR1 (0.39) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL80206 0.93 S1PR1 (0.37) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL79775 0.93 S1PR1 (0.37) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL79819 0.91 S1PR1 (0.40) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL79290 0.90 PPARG (0.40) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL13851953 0.88 S1PR1 (0.52) S1PR1S1PR4S1PR3S1PR5AAK1
SCHEMBL79786 0.88 S1PR1 (0.39) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL79734 0.88 S1PR1 (0.39) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL79331 0.83 S1PR1 (0.37) S1PR1PPARDPPARAPPARGS1PR4
SCHEMBL13851952 0.82 APP (0.37) S1PR1AAK1MTNR1B

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 S1PR1 511/4885PPARD 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.