Sugi Predict

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SCHEMBL6068849

SCHEMBL6068849

CC(C)(C)OC(=O)N(c1ccc(O)cc1)[C@@H](CS)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CTRB1 P17538 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ESRRG P62508 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ AAK1 Q2M2I8 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
SCHEMBL8697616 0.81 S1PR2 (0.42) ALDH1A1PPARA
SCHEMBL6068981 0.79 L3MBTL1 (0.36) L3MBTL1SLC7A5PPARGPPARAMMP13
SCHEMBL6068753 0.79 L3MBTL1 (0.36) L3MBTL1SLC7A5PPARGPPARAMMP13
SCHEMBL6069073 0.79 L3MBTL1 (0.36) L3MBTL1SLC7A5PPARGPPARAMMP13
SCHEMBL2945259 0.78 SMN1; SMN2 (0.39) L3MBTL1SLC7A5PRSS1CTSGCTRB1
SCHEMBL7782926 0.77 PPARG (0.41) CTSSCTSKALDH1A1PPARGPPARA
SCHEMBL27751076 0.76 SMN1; SMN2 (0.39) L3MBTL1SLC7A5PRSS1CTSGCTRB1
SCHEMBL31324787 0.75 SMN1; SMN2 (0.38) L3MBTL1SLC7A5PRSS1CTSGCTRB1
SCHEMBL18301525 0.74 SLC7A5 (0.43) CTSSCTSKL3MBTL1SLC7A5PRSS1
SCHEMBL15577663 0.74 CTSS (0.44) CTSSCTSKSLC7A5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109234-B2 Benzoxathiepine derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2006-09-19 — — US disclosed
EP-1370547-B1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PF MEDICAMENT (FR) 2004-09-15 — — EP disclosed
US-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2004-07-01 — — US disclosed
EP-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 — — EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 — — WO disclosed
WO-2000020441-A2 CYCLIC PEPTIDES AS ANTIFUNGAL AGENTS ABBOTT LABORATORIES (US) 2000-04-13 — — WO 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-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines CYP4A11, CYP3A4, CYP4F11 CTSS 2836/4885CTSK 3261/4885MIF 2867/4885

“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.