SCHEMBL14004223

SCHEMBL14004223

Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOSOOO)cc3)n2)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.41
▸ CA12 O43570 17/20 0.41
▸ CA1 P00915 17/20 0.41
▸ CA2 P00918 17/20 0.41
▸ CA14 Q9ULX7 7/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ CHAT P28329 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL14004227 0.91 CA1 (0.41) CA9CA12CA1CA2CA14
SCHEMBL12052742 0.90 CA9 (0.45) CA9CA12CA1CA2CA14
SCHEMBL14004228 0.88 CHAT (0.40) CA9CA12CA1CA2CA14
SCHEMBL12053158 0.87 FUT8 (0.38) CA9CA12CA1CA2CA14
SCHEMBL21239133 0.86 CHAT (0.45) CA9CA12CA1CA2CA14
SCHEMBL12053213 0.85 FUT8 (0.38) CA9CA12CA1CA2CA14
SCHEMBL14004229 0.84 CA12 (0.36) CA9CA12CA1CA2CA14
SCHEMBL14079923 0.83 CA9 (0.47) CA9CA12CA1CA2CA14
SCHEMBL12053234 0.83 FUT8 (0.40) CA9CA12CA1CA2CA14
SCHEMBL14004240 0.82 CA1 (0.47) CA9CA12CA1CA2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-27 — — US disclosed
US-20080047079-A1 Reactive Polyazo Dyes DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-02-28 — — 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 (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-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use IK, CYP1A1, ALKBH1 CA9 195/4885CA12 1350/4885CA1 900/4885

“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.

Send feedback