SCHEMBL13619209

SCHEMBL13619209

C=NN(C)CCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(SOOO)c(N=Nc4ccc(SC#COOS(=O)(=O)O)cc4)c(N)c3c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ ENPP2 Q13822 6/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 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
SCHEMBL13619083 0.94 THRB (0.41) THRBENPP2PHLPP2MEN1HTT
SCHEMBL13619085 0.94 THRB (0.43) THRBENPP2PHLPP2MEN1HTT
SCHEMBL13619088 0.92 THRB (0.41) THRBENPP2PHLPP2
SCHEMBL13924217 0.91 THRB (0.43) THRBENPP2PHLPP2CA2CA3
SCHEMBL13619097 0.91 THRB (0.43) THRBENPP2PHLPP2CA2CA3
SCHEMBL13619093 0.90 THRB (0.37) THRBENPP2PHLPP2MEN1HTT
SCHEMBL13619092 0.90 THRB (0.40) THRBENPP2PHLPP2
SCHEMBL13619113 0.89 THRB (0.41) THRBENPP2PHLPP2
SCHEMBL13619105 0.89 THRB (0.38) THRBENPP2PHLPP2
SCHEMBL13619094 0.88 ENPP2 (0.36) THRBENPP2PHLPP2MEN1HTT

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 4431/4885PHLPP2 4316/4885

“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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