SCHEMBL80107

SCHEMBL80107

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
RXRA P19793 4/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR1H2 P55055 3/20 0.34
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
PPARD Q03181 4/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
P2RY14 Q15391 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 1/20 0.33
NAAA Q02083 1/20 0.33
PSEN1 P49768 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
SCHEMBL81173 0.93 S1PR1 (0.39) S1PR1THRATHRBRXRARXRB
SCHEMBL79195 0.93 S1PR1 (0.37) S1PR1THRATHRBPPARGPPARA
SCHEMBL80424 0.93 PPARG (0.38) S1PR1THRATHRBPPARGPPARA
SCHEMBL80868 0.93 PPARG (0.40) S1PR1THRATHRBPPARGPPARA
SCHEMBL80595 0.93 FFAR4 (0.37) S1PR1THRATHRBRXRARXRB
SCHEMBL79158 0.93 S1PR1 (0.36) S1PR1THRATHRBPPARGPPARA
SCHEMBL79797 0.92 GAA (0.37) S1PR1THRATHRBPPARGPPARA
SCHEMBL80016 0.91 PPARD (0.39) S1PR1THRATHRBRXRANR1H2
SCHEMBL81069 0.91 S1PR1 (0.35) S1PR1THRATHRBPPARGPPARA
SCHEMBL79408 0.91 S1PR1 (0.41) S1PR1THRATHRBRXRARXRB

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 8 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

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 511/4885THRA 1980/4885THRB 1455/4885

“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.