SCHEMBL13880801

SCHEMBL13880801

C=CS(=O)(=O)c1cc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)Nc5ccc(/N=N/c6cc(S(=O)(=O)O)c(N)cc6N)cc5)cc4)c(O)c3c2N)c(S(=O)(=O)O)cc1SOOO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.36
▸ THRB P10828 1/20 0.35
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL13880800 0.94 ENPP2 (0.38) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13892266 0.86 ENPP2 (0.45) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13880536 0.85 ENPP2 (0.41) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14374474 0.85 THRB (0.45) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13880951 0.85 THRB (0.45) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14582567 0.84 THRB (0.41) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13880811 0.84 THRB (0.41) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14582562 0.83 THRB (0.38) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL13880906 0.82 THRB (0.45) ENPP2THRBCD40CD40LGCYP1A2
SCHEMBL14374473 0.82 THRB (0.45) ENPP2THRBCD40CD40LGCYP1A2

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 ENPP2 3626/4885THRB 3581/4885CD40 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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