SCHEMBL81142

SCHEMBL81142

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccccc3F)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
S1PR1 P21453 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
AXL P30530 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CYP3A4 P08684 2/20 0.31
SCN9A Q15858 2/20 0.31
ITGB1 P05556 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
SCHEMBL80158 0.94 FFAR1 (0.37) S1PR1PPARGPPARDPPARAAXL
SCHEMBL92897 0.92 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAXL
SCHEMBL79433 0.92 MEN1 (0.38) S1PR1PPARGPPARDPPARAAXL
SCHEMBL80006 0.92 LMNA (0.35) S1PR1PPARGPPARDPPARAAXL
SCHEMBL80658 0.92 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAXL
SCHEMBL80157 0.91 S1PR1 (0.34) S1PR1PPARGPPARDPPARAAXL
SCHEMBL80424 0.91 PPARG (0.38) S1PR1PPARGPPARDPPARATHRA
SCHEMBL81543 0.90 NQO2 (0.35) S1PR1PPARGPPARDPPARAAXL
SCHEMBL79753 0.90 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAXL
SCHEMBL80612 0.89 MEN1 (0.35) S1PR1PPARGPPARDPPARATHRA

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 PTPN1 244/4885S1PR1 511/4885PPARG 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.