SCHEMBL14004229

SCHEMBL14004229

Nc1cc(Nc2nc(F)nc(Nc3cccc(S(=O)(=O)CCOSOOO)c3)n2)ccc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ CA4 P22748 3/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ CA3 P07451 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CHAT P28329 3/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ CA13 Q8N1Q1 2/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CDK1 P06493 3/20 0.33
▸ CDK2 P24941 3/20 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
SCHEMBL14004227 0.92 CA1 (0.41) CA12CA1CA2CA9CA4
SCHEMBL14004223 0.84 CA9 (0.41) CA12CA1CA2CA9CA14
SCHEMBL12052744 0.82 CA1 (0.40) CA12CA1CA2CA9CA4
SCHEMBL8951858 0.81 CHAT (0.48) CA12CA1CA2CA9CA4
SCHEMBL14004237 0.80 KCNH3 (0.33) —
SCHEMBL12053257 0.80 CA12 (0.35) CA12CA1CA2CA9CA4
SCHEMBL12053159 0.80 FUT8 (0.34) CA12CA1CA2CA9CA4
SCHEMBL14004247 0.80 CA1 (0.38) CA12CA1CA2CA9CA4
SCHEMBL12053215 0.80 CA12 (0.34) CA12CA1CA2CA9CA4
SCHEMBL14004224 0.78 CHAT (0.47) CA12CA1CA2CA9CA14

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 CA12 1350/4885CA1 900/4885CA2 1016/4885

“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.

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