SCHEMBL79991

SCHEMBL79991

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(C#N)cc3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
SSTR4 P31391 1/20 0.36
S1PR1 P21453 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
AR P10275 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
BCL2 P10415 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 0.91 S1PR1 (0.37) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80424 0.91 PPARG (0.38) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79195 0.91 S1PR1 (0.37) AAK1S1PR1MRGPRX4PPARGPPARD
SCHEMBL80868 0.91 PPARG (0.40) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL81173 0.91 S1PR1 (0.39) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL79158 0.90 S1PR1 (0.36) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL79797 0.89 GAA (0.37) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79408 0.88 S1PR1 (0.41) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL80016 0.88 PPARD (0.39) S1PR1PPARGPPARDPPARATHRA
SCHEMBL81069 0.88 S1PR1 (0.35) AAK1S1PR1PPARGPPARDPPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AAK1 2926/4885SSTR4 293/4885S1PR1 511/4885

“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.