SCHEMBL3587430

SCHEMBL3587430

OCc1ccc2sc3nccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.35
PARP15 Q460N3 3/20 0.35
PARP10 Q53GL7 3/20 0.35
TNKS2 Q9H2K2 3/20 0.35
PARP2 Q9UGN5 3/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CA2 P00918 1/20 0.34
IDO1 P14902 1/20 0.34
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
MAP4K4 O95819 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TBXAS1 P24557 1/20 0.31
APP P05067 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 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
SCHEMBL3587425 0.88 PARP2 (0.44) HSD17B10RECQLPARP15PARP10TNKS2
SCHEMBL11208928 0.76 TNKS2 (0.37) HSD17B10PARP15PARP10TNKS2PARP2
SCHEMBL3590167 0.72 CYP2A6 (0.38) PARP15PARP10TNKS2PARP2IDO1
SCHEMBL3637625 0.71 ALDH1A1 (0.51) CA2NPC1RAB9A
SCHEMBL787056 0.71 TNKS2 (0.55) HSD17B10TNKS2PARP2IDO1NPC1
SCHEMBL11208936 0.66 PARP2 (0.37) HSD17B10PARP15PARP10TNKS2PARP2
SCHEMBL3590164 0.62 CYP2A6 (0.38) PARP15PARP10TNKS2PARP2IDO1
SCHEMBL17129984 0.62 PARP15 (0.62) PARP15PARP10TNKS2PARP2APP
SCHEMBL31083546 0.62 HSD17B10 (0.48) HSD17B10RECQLCA2APPILK
SCHEMBL10018347 0.59 HSD17B10 (0.46) HSD17B10RECQLCA2APPILK

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
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-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
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

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 HSD17B10 1524/4885RECQL 1291/4885PARP15 427/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HSD17B10 879/4885RECQL 1301/4885PARP15 1008/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP HSD17B10 879/4885RECQL 1301/4885PARP15 1008/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM HSD17B10 799/4885RECQL 545/4885PARP15 1241/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HSD17B10 856/4885RECQL 1319/4885PARP15 1171/4885

“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.