SCHEMBL80658

SCHEMBL80658

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(F)cc3F)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
FAAH O00519 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
DRD2 P14416 1/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
AAK1 Q2M2I8 3/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
AXL P30530 2/20 0.31
CHEK1 O14757 1/20 0.30
IDO1 P14902 1/20 0.30
RET P07949 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL81142 0.92 PTPN1 (0.36) S1PR1THRATHRBSCN9ASCN10A
SCHEMBL79195 0.91 S1PR1 (0.37) S1PR1THRATHRBPPARDPPARA
SCHEMBL79753 0.91 S1PR1 (0.35) S1PR1THRATHRBPPARDPPARA
SCHEMBL79846 0.89 S1PR1 (0.35) S1PR1THRATHRBPPARDPPARA
SCHEMBL80157 0.89 S1PR1 (0.34) S1PR1THRATHRBPPARDPPARA
SCHEMBL80158 0.88 FFAR1 (0.37) S1PR1THRATHRBSCN9ASCN10A
SCHEMBL78698 0.88 EPHX2 (0.35) S1PR1THRATHRBPPARDPPARA
SCHEMBL80006 0.88 LMNA (0.35) S1PR1THRATHRBDRD2PPARD
SCHEMBL80675 0.88 S1PR1 (0.35) S1PR1THRATHRBPPARDPPARA
SCHEMBL80514 0.87 S1PR1 (0.35) S1PR1THRATHRBDRD2PPARD

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 511/4885FAAH 1832/4885THRA 1980/4885

“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.