Sugi Predict

Sugi Predict / Compounds / SCHEMBL79160

SCHEMBL79160

SCHEMBL79160

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3csc4ccccc34)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ S1PR4 O95977 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FFAR2 O15552 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 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 0.88 FFAR1 (0.37) S1PR1S1PR4S1PR3S1PR5PPARG
SCHEMBL81543 0.88 NQO2 (0.35) CTSSCTSKS1PR1PPARGPPARD
SCHEMBL17733331 0.88 S1PR1 (0.35) S1PR1TACR1PPARGPPARDPPARA
SCHEMBL92897 0.87 S1PR1 (0.35) S1PR1S1PR4S1PR3S1PR5PPARG
SCHEMBL79433 0.87 MEN1 (0.38) S1PR1S1PR4S1PR3S1PR5PPARG
SCHEMBL81142 0.87 PTPN1 (0.36) CTSSCTSKS1PR1S1PR4S1PR3
SCHEMBL80424 0.87 PPARG (0.38) S1PR1S1PR4S1PR3S1PR5PPARG
SCHEMBL80006 0.86 LMNA (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79218 0.85 S1PR1 (0.37) CTSSCTSKS1PR1S1PR4S1PR3
SCHEMBL81071 0.85 S1PR1 (0.36) S1PR1S1PR4S1PR3S1PR5PPARG

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 CTSL 3148/4885CTSS 4376/4885CTSK 4088/4885

“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.