SCHEMBL13823097

SCHEMBL13823097

C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c(NC(C)=O)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 1/20 0.36
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ KCNH3 Q9ULD8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ENPP2 Q13822 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
SCHEMBL13881108 0.88 ATIC (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13604272 0.85 KCNH3 (0.33) KCNH3MEN1KMT2A
SCHEMBL13604282 0.83 ENPP2 (0.33) KCNH3ENPP2
SCHEMBL13611634 0.82 KCNH3 (0.32) KCNH3ENPP2
SCHEMBL14379261 0.80 ATIC (0.36) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13881094 0.79 CA12 (0.33) KCNH3MEN1KMT2AENPP2
SCHEMBL13823302 0.78 ATIC (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14441348 0.78 ATIC (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17323133 0.77 ATIC (0.40) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL15985825 0.76 ATIC (0.39) ATICSUMO2SUMO1SENP7SENP2

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-7543926-B2 Process for printing textile fibre materials in accordance with the ink-jet printing process HUNTSMAN INTERNATIONAL LLC (US) 2009-06-09 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 ATIC 3580/4885SUMO2 1017/4885SUMO1 1133/4885

“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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