SCHEMBL3551446

SCHEMBL3551446

COC(=O)N1CCc2cc(C=O)oc2C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.36
ESR2 Q92731 1/20 0.35
PDGFRB P09619 1/20 0.35
MAPT P10636 3/20 0.34
NR1H2 P55055 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCB1 P08183 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL28452780 0.83 MEN1 (0.33) MAPTHPGD
SCHEMBL17552126 0.75 ESR2 (0.52) ESR2MAPTNR1H2MAPK1
SCHEMBL17541088 0.71 MEN1 (0.33) MAPTHPGD
SCHEMBL5467759 0.68 KMT2A (0.64) MAPTKDM4EPOLBTHRBALDH1A1
SCHEMBL30056523 0.67 NOTUM (0.67) ABHD6MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL464005 0.67 NOTUM (0.67) ABHD6MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL9693821 0.67 HSP90AA1 (0.39) PDGFRBMAPTALDH1A1HSD17B10MAPK1
SCHEMBL8108171 0.66 ESR2 (0.53) ABHD6ESR2NR1H2KDM4ETAS1R3
SCHEMBL7842940 0.65 ABHD6 (0.64) ABHD6ESR2MAPTNR1H2KDM4E
SCHEMBL14185727 0.65 NPC1 (0.32) ABHD6PDGFRBMAPTTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES 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 (4 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-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS ABHD6 41/4885ESR2 1846/4885PDGFRB 1162/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M ABHD6 239/4885ESR2 2080/4885PDGFRB 901/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M ABHD6 497/4885ESR2 2242/4885PDGFRB 1135/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M ABHD6 226/4885ESR2 1290/4885PDGFRB 897/4885

“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.