SCHEMBL92897

SCHEMBL92897

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccccc3CF)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
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
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
AXL P30530 1/20 0.31
MTNR1B P49286 1/20 0.31
AAK1 Q2M2I8 6/20 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 0.94 FFAR1 (0.37) S1PR1PPARGPPARDPPARATHRA
SCHEMBL81142 0.92 PTPN1 (0.36) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79433 0.92 MEN1 (0.38) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80006 0.92 LMNA (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80424 0.91 PPARG (0.38) S1PR1PPARGPPARDPPARATHRA
SCHEMBL81543 0.90 NQO2 (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80612 0.89 MEN1 (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79514 0.89 S1PR1 (0.34) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80231 0.88 PPIA (0.39) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79408 0.88 S1PR1 (0.41) S1PR1PPARGPPARDPPARATHRA

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 2 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US 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 511/4885PPARG 1030/4885PPARD 1369/4885

“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.