SCHEMBL13619150

SCHEMBL13619150

CNCCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(SOOO)c(N=Nc4ccc(SC#COOS(=O)(=O)O)cc4)c(O)c3c2N)c(SOOO)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.39
▸ ENPP2 Q13822 6/20 0.36
▸ PTPN11 Q06124 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 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
SCHEMBL13619132 0.95 THRB (0.43) THRBENPP2PTPN11
SCHEMBL13619119 0.91 THRB (0.38) THRBENPP2PTPN11
SCHEMBL13619128 0.90 THRB (0.41) THRBENPP2PTPN11
SCHEMBL13619093 0.88 THRB (0.37) THRBENPP2MEN1HTTKMT2A
SCHEMBL13432905 0.87 THRB (0.47) THRBENPP2PTPN11
SCHEMBL13432669 0.87 THRB (0.49) THRBENPP2PTPN11
SCHEMBL13619127 0.87 THRB (0.39) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619148 0.87 ENPP2 (0.38) THRBENPP2PTPN11MEN1HTT
SCHEMBL13619097 0.86 THRB (0.43) THRBENPP2PTPN11
SCHEMBL13924217 0.86 THRB (0.43) THRBENPP2PTPN11

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 THRB 2058/4885ENPP2 4431/4885PTPN11 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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