SCHEMBL3584679

SCHEMBL3584679

CCOC(=O)N1CCc2c(oc3cc(C=O)nn23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
ATM Q13315 1/20 0.35
GRM5 P41594 6/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 3/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HSP90AA1 P07900 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL3597371 0.83 ALDH1A1 (0.38) TP53L3MBTL1AKR1B10AKR1B1SMN1; SMN2
SCHEMBL3588111 0.79 TSHR (0.32)
SCHEMBL3588108 0.79 TSHR (0.32)
SCHEMBL6089801 0.79 TSHR (0.32)
SCHEMBL3226544 0.77 TSHR (0.32) AKR1B10AKR1B1
SCHEMBL160278 0.69 GRM5 (0.39) L3MBTL1SMN1; SMN2LMNAPABPC1ATM
SCHEMBL3586721 0.67
SCHEMBL3584411 0.65 ALDH1A1 (0.39) TP53LMNACYP1A2MAPTRXFP1
SCHEMBL2840772 0.65 LMNA (0.40) L3MBTL1SMN1; SMN2LMNAPABPC1ATM
SCHEMBL3636057 0.65 GRM5 (0.37) TP53L3MBTL1SMN1; SMN2GRM5CYP3A4

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 4 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
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-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 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 (2 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-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP TP53 3728/4885L3MBTL1 661/4885AKR1B10 1081/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM TP53 3896/4885L3MBTL1 373/4885AKR1B10 1702/4885

“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.