SCHEMBL13619135

SCHEMBL13619135

CNCCS(=O)(=O)c1ccc(N=Nc2c(N)ccc3c(O)c(N=Nc4ccc(N=Nc5ccc(SC#COOS(=O)(=O)O)cc5)cc4)c(SOOO)cc23)c(S(=O)(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ SUMO2 P61956 1/20 0.30
▸ SUMO1 P63165 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP2 Q9HC62 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
SCHEMBL13619153 0.92 CD40 (0.32) CD40CD40LGPTPN11ENPP2SUMO2
SCHEMBL13433122 0.90 CD40 (0.31) CD40CD40LGPTPN11ENPP2
SCHEMBL13619137 0.88 ENPP2 (0.30) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13432908 0.86 ENPP2 (0.31) ENPP2
SCHEMBL13619142 0.85 — —
SCHEMBL13619150 0.84 THRB (0.39) CD40CD40LGPTPN11ENPP2
SCHEMBL13619167 0.82 ENPP2 (0.33) ENPP2
SCHEMBL13619145 0.82 — —
SCHEMBL13619132 0.82 THRB (0.43) PTPN11ENPP2
SCHEMBL13619163 0.82 ENPP2 (0.40) CD40CD40LGENPP2SUMO2SUMO1

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-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 — — US disclosed
US-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-07-09 — — 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-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group SRM, PADI1, NOS1 CD40 3394/4885CD40LG 2274/4885PTPN11 3686/4885

“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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