SCHEMBL3483635

SCHEMBL3483635

Cc1csc2ccc(OCCCl)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
PDE5A O76074 1/20 0.30

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
SCHEMBL14931189 0.70 CYP2A6 (0.42) CYP2A6
SCHEMBL3483686 0.70
SCHEMBL3483500 0.70
SCHEMBL3483555 0.68 CYP2A6 (0.43) CYP2A6
SCHEMBL3480209 0.68 CYP2A6 (0.51) CYP2A6
SCHEMBL4426300 0.68 CYP2A6 (0.46) CYP2A6
SCHEMBL3483515 0.65 CMA1 (0.36)
SCHEMBL11094998 0.65 ALDH1A1 (0.43)
SCHEMBL3480322 0.64 CYP2A6 (0.42) CYP2A6
SCHEMBL5825529 0.63 SMN1; SMN2 (0.54)

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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 (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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CYP2A6 944/4885PDE5A 931/4885

“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.