SCHEMBL3595605

SCHEMBL3595605

COC(=O)c1ccc2[nH]c(=S)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.64
SIRT1 Q96EB6 1/20 0.64
PSMB8 P28062 1/20 0.59
KIF11 P52732 1/20 0.54
CREBBP Q92793 1/20 0.53
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PARP1 P09874 1/20 0.50
BCL6 P41182 1/20 0.49
BCOR Q6W2J9 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL30974150 0.90 SIRT2 (0.53) SIRT2SIRT1PSMB8KIF11CREBBP
SCHEMBL5368743 0.84 PARP1 (0.63) PSMB8KIF11CREBBPHSD17B10HPGD
SCHEMBL474689 0.84 BCL6 (0.64) PSMB8KIF11CREBBPHSD17B10HPGD
SCHEMBL30974167 0.84 SIRT2 (0.47) SIRT2SIRT1PSMB8KIF11CREBBP
SCHEMBL10284395 0.78 SIRT2 (1.00) SIRT2SIRT1PSMB8HSD17B10HPGD
SCHEMBL31618461 0.78 SIRT2 (1.00) SIRT2SIRT1PSMB8HSD17B10HPGD
SCHEMBL4725998 0.77 KIF11 (0.84) KIF11CREBBPHSD17B10HPGDALDH1A1
SCHEMBL28063129 0.77 KIF11 (0.70) PSMB8KIF11CREBBPHSD17B10HPGD
SCHEMBL29708168 0.77 KIF11 (0.84) KIF11CREBBPHSD17B10HPGDALDH1A1
SCHEMBL12658629 0.76 SIRT2 (0.55) SIRT2SIRT1ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2018053161-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL TAIWAN UNIVERSITY (TW) 2018-03-22 WO disclosed
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
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (5 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 SIRT2 1949/4885SIRT1 1849/4885PSMB8 735/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SIRT2 2295/4885SIRT1 1851/4885PSMB8 317/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP SIRT2 2295/4885SIRT1 1851/4885PSMB8 317/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM SIRT2 1659/4885SIRT1 1211/4885PSMB8 444/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SIRT2 2396/4885SIRT1 1777/4885PSMB8 324/4885

“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.