SCHEMBL4125894

SCHEMBL4125894

COC(=O)c1cccc(N2CC(NC(=O)OCc3ccccc3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
GRM2 Q14416 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PREP P48147 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
NAAA Q02083 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4124868 0.87 ALDH1A1 (0.42) GAAALDH1A1LMNAPREPNAAA
SCHEMBL17557005 0.81 CA1 (0.47) ALDH1A1LMNAPREPNAAACA1
SCHEMBL17556856 0.81 CA1 (0.47) ALDH1A1LMNAPREPNAAACA1
SCHEMBL16059873 0.81 CA1 (0.47) ALDH1A1LMNAPREPNAAACA1
SCHEMBL2826490 0.78 ALDH1A1 (0.52) GAAALDH1A1CA1CA2ACHE
SCHEMBL10735046 0.78 NAAA (0.44) GAAALDH1A1PREPNAAA
SCHEMBL1590956 0.76 CA1 (0.51) GAAALDH1A1CA1CA2ACHE
SCHEMBL2849059 0.76 CPB1 (0.44) GAAALDH1A1CA1CA2ACHE
SCHEMBL2849061 0.76 CPB1 (0.44) GAAALDH1A1CA1CA2ACHE
SCHEMBL15200070 0.76 NAAA (0.52) GAAALDH1A1PREPNAAA

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-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2009-10-08 US disclosed
EP-1861396-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006092608-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-09-08 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 (1 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-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AZI2, AAAS, QDPR GAA 219/4885GRM2 4726/4885ALDH1A1 2333/4885

“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.