SCHEMBL3597371

SCHEMBL3597371

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
PABPC1 P11940 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GRM5 P41594 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 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
SCHEMBL3584679 0.83 TP53 (0.36) ALDH1A1KDM4EAKR1B10AKR1B1SMN1; SMN2
SCHEMBL5529237 0.74 AKR1B10 (0.31) AKR1B10AKR1B1
SCHEMBL3226544 0.71 TSHR (0.32) AKR1B10AKR1B1TSHR
SCHEMBL6089801 0.71 TSHR (0.32) TSHR
SCHEMBL3588111 0.71 TSHR (0.32) TSHR
SCHEMBL3588108 0.71 TSHR (0.32) TSHR
SCHEMBL158866 0.68 GRM5 (0.44) GRM5CYP3A4TSHR
SCHEMBL3584411 0.66 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL2840772 0.65 LMNA (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAPABPC1
SCHEMBL3584591 0.64 GRM5 (0.37) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TP53

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 3 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

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 ALDH1A1 765/4885KDM4E 1243/4885AKR1B10 1081/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ALDH1A1 920/4885KDM4E 651/4885AKR1B10 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.