SCHEMBL13619149

SCHEMBL13619149

C#COOSc1ccc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4cccc(S(=O)(=O)CCCC)c4)c(O)c3c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ ENPP2 Q13822 6/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 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
SCHEMBL13619124 0.87 THRB (0.38) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13432853 0.86 THRB (0.44) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13619110 0.85 THRB (0.40) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13432871 0.80 THRB (0.41) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL12377661 0.79 THRB (0.55) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13340705 0.79 THRB (0.55) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13619105 0.79 THRB (0.38) THRBENPP2PHLPP2PTPN11CYP1A2
SCHEMBL13619118 0.78 THRB (0.37) THRBENPP2PHLPP2CYP1A2MEN1
SCHEMBL13619125 0.77 THRB (0.42) THRBENPP2PHLPP2PTPN11
SCHEMBL13292117 0.77 THRB (0.46) THRBENPP2PHLPP2PTPN11CYP1A2

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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