SCHEMBL13619203

SCHEMBL13619203

CCN(CCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(SOOO)c(N=Nc4ccc(OS(=O)(=O)O)cc4)c(N)c3c2O)cc1)CCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(SOOO)c(N=Nc4ccc(OS(=O)(=O)O)cc4)c(N)c3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.43
▸ ENPP2 Q13822 9/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13619192 0.94 ENPP2 (0.38) THRBENPP2MEN1HTTKMT2A
SCHEMBL12052837 0.83 THRB (0.52) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619115 0.81 THRB (0.41) THRBENPP2MEN1HTTKMT2A
SCHEMBL13433021 0.79 THRB (0.42) THRBENPP2MEN1HTTKMT2A
SCHEMBL12053435 0.79 THRB (0.51) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880823 0.78 THRB (0.43) THRBENPP2MEN1HTTKMT2A
SCHEMBL13420618 0.78 THRB (0.49) THRBENPP2MEN1HTTKMT2A
SCHEMBL13432880 0.77 THRB (0.44) THRBENPP2MEN1HTTKMT2A
SCHEMBL13619110 0.77 THRB (0.40) THRBENPP2MEN1HTTKMT2A
SCHEMBL13647456 0.76 THRB (0.49) THRBENPP2MEN1HTTKMT2A

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 4431/4885MEN1 1375/4885

“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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