SCHEMBL13949181

SCHEMBL13949181

CC(=O)Nc1cc(N=Nc2ccc(Nc3nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)nc(SCC(=O)O)n3)cc2NC(N)=O)c(S(=O)(=O)O)cc1N=Nc1ccc(SC#COOS(=O)(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.37
▸ AMY1A P0DUB6 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
SCHEMBL13949174 0.80 — —
SCHEMBL13949196 0.77 — —
SCHEMBL14020365 0.74 THRB (0.36) ENPP2
SCHEMBL6726723 0.71 THRB (0.38) ENPP2AMY1A
SCHEMBL14020332 0.71 CHRNA7 (0.31) —
SCHEMBL15363309 0.71 FUT8 (0.40) ENPP2
SCHEMBL17384276 0.70 POLB (0.40) ENPP2AMY1A
SCHEMBL13647497 0.70 FUT8 (0.34) —
SCHEMBL13647482 0.69 FUT8 (0.34) —
SCHEMBL6747988 0.69 CA12 (0.36) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018317-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethysulfone group EVERLIGHT USA, INC. (US) 2009-01-15 — — 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-20090018317-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethysulfone group PADI1, PADI2, PADI4 ENPP2 3807/4885AMY1A 474/4885

“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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