SCHEMBL79514

SCHEMBL79514

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc(Cl)c3Cl)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
REN P00797 6/20 0.32
AAK1 Q2M2I8 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
DRD2 P14416 1/20 0.30
P2RX7 Q99572 1/20 0.30
GLS O94925 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MCL1 Q07820 1/20 0.30

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 0.90 FFAR1 (0.37) S1PR1THRATHRBPPARDPPARA
SCHEMBL80612 0.89 MEN1 (0.35) S1PR1AAK1THRATHRBPPARD
SCHEMBL81258 0.89 S1PR1 (0.34) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL79200 0.89 MRGPRX4 (0.38) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL81142 0.89 PTPN1 (0.36) S1PR1THRATHRBPPARDPPARA
SCHEMBL79433 0.89 MEN1 (0.38) S1PR1AAK1THRATHRBPPARD
SCHEMBL92897 0.89 S1PR1 (0.35) S1PR1AAK1THRATHRBPPARD
SCHEMBL81546 0.89 S1PR1 (0.36) S1PR1AAK1THRATHRBPPARD
SCHEMBL80127 0.88 PPARD (0.36) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL81459 0.88 PPARD (0.36) S1PR1MRGPRX4AAK1THRATHRB

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 511/4885MRGPRX4 92/4885REN 14/4885

“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.