SCHEMBL2928704

SCHEMBL2928704

OCc1cn2c(n1)sc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.53
CYP2C9 P11712 2/20 0.53
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ADORA2A P29274 1/20 0.46
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.39
CHEK1 O14757 1/20 0.39
PDGFRA P16234 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL10462549 0.84 CYP2C9 (0.50) HCAR2CYP2C9TNKS2PARP2POLB
SCHEMBL20518825 0.83 HCAR2 (0.56) HCAR2CYP2C9TNKS2PARP2POLB
SCHEMBL20229506 0.80 HCAR2 (0.47) HCAR2CYP2C9TNKS2PARP2POLB
SCHEMBL3592857 0.79 MAPT (0.42) HCAR2CYP2C9TNKS2PARP2THRB
SCHEMBL2928231 0.79 PARP15 (0.51) HCAR2CYP2C9TNKS2PARP2TDP1
SCHEMBL30085725 0.79 LMNA (0.43) HCAR2CYP2C9ALDH1A1THRB
SCHEMBL20518807 0.77 KDM4E (0.49) HCAR2CYP2C9POLBHTTTDP1
SCHEMBL8402940 0.76 TNKS2 (0.51) HCAR2CYP2C9TNKS2PARP2TDP1
SCHEMBL6705411 0.76 PARP15 (0.54) TNKS2PARP2POLBTDP1ALDH1A1
SCHEMBL30753117 0.76 MAPT (0.60) TNKS2PARP2TDP1ALDH1A1THRB

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 16 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-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP 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-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP 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-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO 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 (6 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 HCAR2 4538/4885CYP2C9 688/4885TNKS2 1926/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HCAR2 3815/4885CYP2C9 277/4885TNKS2 1244/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP HCAR2 3815/4885CYP2C9 277/4885TNKS2 1244/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM HCAR2 3941/4885CYP2C9 350/4885TNKS2 1074/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 HCAR2 4538/4885CYP2C9 688/4885TNKS2 1926/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HCAR2 3858/4885CYP2C9 232/4885TNKS2 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.