SCHEMBL13880818

SCHEMBL13880818

Nc1cc(N)c(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(SOOO)c(/N=N/c6ccc(S(=O)(=O)CCOSOOO)cc6S(=O)(=O)O)c(N)c5c4O)cc3)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ ENPP2 Q13822 8/20 0.36
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ FUT8 Q9BYC5 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13880765 0.98 THRB (0.40) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880955 0.96 THRB (0.43) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880811 0.95 THRB (0.41) THRBENPP2CD40CD40LGMEN1
SCHEMBL14582567 0.95 THRB (0.41) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880929 0.94 THRB (0.43) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880834 0.93 THRB (0.40) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880807 0.93 THRB (0.42) THRBENPP2CD40CD40LGMEN1
SCHEMBL14582559 0.92 THRB (0.41) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880885 0.92 THRB (0.39) THRBENPP2CD40CD40LGMEN1
SCHEMBL13880816 0.92 THRB (0.39) THRBENPP2CD40CD40LGMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 THRB 3581/4885ENPP2 3626/4885CD40 1850/4885

“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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