SCHEMBL81258

SCHEMBL81258

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cc(Cl)ccc3Cl)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.34
AAK1 Q2M2I8 2/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
RAF1 P04049 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGER1 P34995 1/20 0.31
HTR2C P28335 2/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL81459 0.93 PPARD (0.36) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL81546 0.91 S1PR1 (0.36) S1PR1AAK1THRATHRBRAF1
SCHEMBL81776 0.90 S1PR1 (0.36) S1PR1MRGPRX4AAK1LMNAALDH1A1
SCHEMBL80514 0.89 S1PR1 (0.35) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL79200 0.89 MRGPRX4 (0.38) S1PR1MRGPRX4AAK1KDM4ETHRA
SCHEMBL79514 0.89 S1PR1 (0.34) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL80127 0.89 PPARD (0.36) S1PR1MRGPRX4AAK1THRATHRB
SCHEMBL80158 0.88 FFAR1 (0.37) S1PR1LMNAKMT2ATHRATHRB
SCHEMBL79753 0.87 S1PR1 (0.35) S1PR1AAK1THRATHRB
SCHEMBL17733215 0.87 S1PR1 (0.35) S1PR1MRGPRX4AAK1LMNAMAPK1

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 9 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
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 92/4885AAK1 2926/4885

“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.