SCHEMBL79110

SCHEMBL79110

COc1ccc(CCCOc2ccc(CCC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
HPGD P15428 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FFAR2 O15552 1/20 0.34
S1PR5 Q9H228 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 2/20 0.32
AGTR2 P50052 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR3 Q99500 1/20 0.32
AXL P30530 1/20 0.31
MEN1 O00255 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 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
SCHEMBL81869 0.94 S1PR1 (0.36) S1PR1THRATHRBMAPTPPARG
SCHEMBL79544 0.94 S1PR1 (0.36) S1PR1FFAR1FFAR4S1PR5THRA
SCHEMBL80675 0.92 S1PR1 (0.35) S1PR1FFAR1FFAR4S1PR5THRA
SCHEMBL79797 0.91 GAA (0.37) S1PR1THRATHRBMAPTPPARG
SCHEMBL80868 0.91 PPARG (0.40) S1PR1HPGDS1PR5THRATHRB
SCHEMBL79667 0.91 S1PR1 (0.36) S1PR1S1PR5THRATHRBAAK1
SCHEMBL80107 0.90 S1PR1 (0.37) S1PR1S1PR5THRATHRBPPARG
SCHEMBL80424 0.90 PPARG (0.38) S1PR1FFAR1FFAR4S1PR5THRA
SCHEMBL81173 0.90 S1PR1 (0.39) S1PR1S1PR5THRATHRBAAK1
SCHEMBL79195 0.90 S1PR1 (0.37) S1PR1FFAR4S1PR5THRATHRB

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 511/4885HPGD 2722/4885FFAR1 1919/4885

“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.