SCHEMBL79218

SCHEMBL79218

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccs3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.37
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPARD Q03181 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSK P43235 2/20 0.31
GLS O94925 1/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSS P25774 1/20 0.31
CCR5 P51681 1/20 0.31
SLC6A9 P48067 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
SCHEMBL80107 0.89 S1PR1 (0.37) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL80424 0.89 PPARG (0.38) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL81071 0.89 S1PR1 (0.36) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL80237 0.88 S1PR1 (0.37) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL80158 0.88 FFAR1 (0.37) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL79195 0.87 S1PR1 (0.37) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL80868 0.87 PPARG (0.40) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL81173 0.87 S1PR1 (0.39) S1PR1THRATHRBS1PR4S1PR3
SCHEMBL79846 0.87 S1PR1 (0.35) S1PR1THRATHRBPPARDPPARG
SCHEMBL81897 0.87 S1PR1 (0.37) S1PR1THRATHRBS1PR4S1PR3

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.