Sugi Predict

Sugi Predict / Compounds / SCHEMBL8040731

SCHEMBL8040731

SCHEMBL8040731

CCN(CC)C(=O)c1ccccc1[S+]([O-])C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 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
SCHEMBL8040777 0.92 ESR1 (0.31) —
SCHEMBL8699086 0.92 ESR1 (0.31) —
SCHEMBL8695696 0.85 ESR1 (0.40) ELANE
SCHEMBL8694071 0.85 ESR1 (0.40) ELANE
SCHEMBL8039652 0.85 ESR1 (0.40) ELANE
SCHEMBL8042493 0.85 SMN1; SMN2 (0.31) ELANE
SCHEMBL8834929 0.85 SMN1; SMN2 (0.31) ELANE
SCHEMBL8039606 0.83 ELANE (0.32) ELANE
SCHEMBL8976102 0.83 ELANE (0.32) ELANE
SCHEMBL8695354 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587436-B1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-05-10 — — EP disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 — — US disclosed
EP-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed