SCHEMBL3587425

SCHEMBL3587425

OCc1ccc2c(c1)sc1nccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 8/20 0.44
PARP15 Q460N3 7/20 0.44
TNKS2 Q9H2K2 7/20 0.44
PARP10 Q53GL7 6/20 0.44
PARP14 Q460N5 3/20 0.38
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
PARP11 Q9NR21 2/20 0.38
PARP4 Q9UKK3 2/20 0.38
PARP3 Q9Y6F1 2/20 0.38
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
APP P05067 2/20 0.33
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 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
SCHEMBL3587430 0.88 HSD17B10 (0.40) PARP2PARP15TNKS2PARP10HSD17B10
SCHEMBL11208936 0.76 PARP2 (0.37) PARP2PARP15TNKS2PARP10PARP14
SCHEMBL4658884 0.75 KDM4E (0.44) PARP2PARP15TNKS2PARP10PARP14
SCHEMBL3590164 0.72 CYP2A6 (0.38) PARP2PARP15TNKS2PARP10PARP14
SCHEMBL17129984 0.72 PARP15 (0.62) PARP2PARP15TNKS2PARP10APP
SCHEMBL787056 0.71 TNKS2 (0.55) PARP2TNKS2HSD17B10LMNA
SCHEMBL31338672 0.69 LMNA (0.48) APPLMNARXFP1
SCHEMBL10507623 0.66 KDM4E (0.41) PARP2PARP15TNKS2PARP10HSD17B10
SCHEMBL11208928 0.66 TNKS2 (0.37) PARP2PARP15TNKS2PARP10PARP14
SCHEMBL7765471 0.65 SIGMAR1 (0.54)

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 PARP2 347/4885PARP15 427/4885TNKS2 1926/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP PARP2 521/4885PARP15 1008/4885TNKS2 1244/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP PARP2 521/4885PARP15 1008/4885TNKS2 1244/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM PARP2 430/4885PARP15 1241/4885TNKS2 1074/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP PARP2 576/4885PARP15 1171/4885TNKS2 1321/4885

“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.