SCHEMBL3590167

SCHEMBL3590167

O=Cc1ccc2sc3nccn3c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.38
ALDH1A1 P00352 6/20 0.36
PARP15 Q460N3 2/20 0.35
PARP10 Q53GL7 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
IDO1 P14902 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 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
SCHEMBL3590164 0.88 CYP2A6 (0.38) CYP2A6ALDH1A1PARP15PARP10TNKS2
SCHEMBL11208928 0.76 TNKS2 (0.37) ALDH1A1PARP15PARP10TNKS2PARP2
SCHEMBL3587430 0.72 HSD17B10 (0.40) PARP15PARP10TNKS2PARP2IDO1
SCHEMBL787056 0.71 TNKS2 (0.55) ALDH1A1TNKS2PARP2IDO1KDM4E
SCHEMBL3222494 0.69
SCHEMBL26987509 0.69 LIMK1 (0.33) ALDH1A1PARP15PARP10TNKS2PARP2
SCHEMBL3637625 0.68 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5098191 0.68 FGFR1 (0.38) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5470608 0.66 CYP2A6 (0.45) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11208936 0.66 PARP2 (0.37) ALDH1A1PARP15PARP10TNKS2PARP2

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 CYP2A6 11/4885ALDH1A1 998/4885PARP15 427/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP CYP2A6 92/4885ALDH1A1 765/4885PARP15 1008/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP CYP2A6 92/4885ALDH1A1 765/4885PARP15 1008/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM CYP2A6 97/4885ALDH1A1 920/4885PARP15 1241/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP CYP2A6 93/4885ALDH1A1 646/4885PARP15 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.