SCHEMBL81543

SCHEMBL81543

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc4ccccc34)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
S1PR1 P21453 1/20 0.34
SYK P43405 1/20 0.33
MCL1 Q07820 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PPIA P62937 1/20 0.32

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 0.92 FFAR1 (0.37) S1PR1PPARGPPARDPPARAKMT2A
SCHEMBL79433 0.90 MEN1 (0.38) S1PR1MCL1PPARGPPARDPPARA
SCHEMBL92897 0.90 S1PR1 (0.35) S1PR1MTNR1BPPARGPPARDPPARA
SCHEMBL81142 0.90 PTPN1 (0.36) S1PR1MTNR1BPPARGPPARDPPARA
SCHEMBL80006 0.90 LMNA (0.35) S1PR1MTNR1BPPARGPPARDPPARA
SCHEMBL80231 0.89 PPIA (0.39) S1PR1PPARGPPARDPPARACTSS
SCHEMBL80612 0.89 MEN1 (0.35) S1PR1PPARGPPARDPPARAKMT2A
SCHEMBL80424 0.89 PPARG (0.38) S1PR1SYKMTNR1BPPARGPPARD
SCHEMBL79514 0.88 S1PR1 (0.34) S1PR1MCL1PPARGPPARDPPARA
SCHEMBL79160 0.88 CTSL (0.34) S1PR1MTNR1APPARGPPARDPPARA

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 NQO2 2435/4885S1PR1 511/4885SYK 141/4885

“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.