SCHEMBL3593308

SCHEMBL3593308

O=C(O)C1=CSC2/C(=C\c3cn4c(nc5ccccc54)s3)C(=O)N12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3582086 1.00 MEN1 (0.34) MEN1NPC1ALDH1A1POLBHSP90AA1
SCHEMBL3593311 1.00 MEN1 (0.34) MEN1NPC1ALDH1A1POLBHSP90AA1
SCHEMBL4264969 0.85 MAPT (0.32) MEN1NPC1ALDH1A1POLBHSP90AA1
SCHEMBL2932070 0.81
SCHEMBL13424094 0.81 MEN1 (0.36) MEN1NPC1ALDH1A1POLBHSP90AA1
SCHEMBL2932072 0.81
SCHEMBL6088278 0.75
SCHEMBL10771792 0.74 MAP2K1 (0.43)
SCHEMBL4257282 0.72 PARP15 (0.38)
SCHEMBL11097441 0.72 EP300 (0.38) ALDH1A1

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-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US claimed
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 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 (2 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-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MEN1 2752/4885NPC1 1676/4885ALDH1A1 765/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MEN1 2554/4885NPC1 1423/4885ALDH1A1 646/4885

“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.