SCHEMBL80158

SCHEMBL80158

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccccc3C(F)(F)F)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
S1PR1 P21453 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C2 P08235 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
SCN9A Q15858 6/20 0.33
CYP3A4 P08684 4/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
ITGB1 P05556 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
SCHEMBL79433 0.94 MEN1 (0.38) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL92897 0.94 S1PR1 (0.35) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL81142 0.94 PTPN1 (0.36) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL80006 0.93 LMNA (0.35) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL80424 0.92 PPARG (0.38) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL81543 0.92 NQO2 (0.35) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL80612 0.91 MEN1 (0.35) FFAR1FFAR4S1PR1LMNAPOLB
SCHEMBL79514 0.90 S1PR1 (0.34) FFAR1FFAR4S1PR1NR3C2PPARG
SCHEMBL80231 0.90 PPIA (0.39) S1PR1LMNAPOLBMEN1KMT2A
SCHEMBL79408 0.90 S1PR1 (0.41) S1PR1HDAC1PPARGPPARDPPARA

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 6 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-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 FFAR1 1919/4885FFAR4 1753/4885S1PR1 511/4885

“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.