SCHEMBL81546

SCHEMBL81546

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
AAK1 Q2M2I8 5/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARA Q07869 4/20 0.32
PPARD Q03181 3/20 0.32
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
PPARG P37231 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RAF1 P04049 2/20 0.31
RET P07949 1/20 0.31
MAPK14 Q16539 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
SCHEMBL80514 0.94 S1PR1 (0.35) S1PR1AAK1THRATHRBPPARA
SCHEMBL81776 0.93 S1PR1 (0.36) S1PR1AAK1THRATHRBPPARA
SCHEMBL81258 0.91 S1PR1 (0.34) S1PR1AAK1THRATHRBRAF1
SCHEMBL79200 0.91 MRGPRX4 (0.38) S1PR1AAK1THRATHRBPPARA
SCHEMBL80107 0.90 S1PR1 (0.37) S1PR1THRATHRBPPARAPPARD
SCHEMBL81173 0.90 S1PR1 (0.39) S1PR1AAK1THRATHRBPPARA
SCHEMBL80868 0.90 PPARG (0.40) S1PR1AAK1THRATHRBPPARA
SCHEMBL80424 0.90 PPARG (0.38) S1PR1THRATHRBPPARAPPARD
SCHEMBL79195 0.90 S1PR1 (0.37) S1PR1AAK1THRATHRBPPARA
SCHEMBL81459 0.90 PPARD (0.36) S1PR1AAK1THRATHRBPPARA

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 511/4885AAK1 2926/4885THRA 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.