SCHEMBL13880619

SCHEMBL13880619

Nc1nc(Cl)nc(Nc2cc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)c(N)c4c3O)c(S(=O)(=O)O)cc2/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.53
▸ FUT8 Q9BYC5 1/20 0.45
▸ ENPP2 Q13822 9/20 0.40
▸ CYP1A2 P05177 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ PRMT1 Q99873 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34

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
SCHEMBL14388939 0.86 THRB (0.55) THRBFUT8ENPP2CYP1A2CA2
SCHEMBL17384028 0.85 SUMO2 (0.46) THRBFUT8ENPP2CYP1A2PRMT1
SCHEMBL16624649 0.85 FUT8 (0.52) THRBFUT8ENPP2CYP1A2CA2
SCHEMBL13744320 0.84 USP2 (0.37) THRBFUT8ENPP2CA2CA3
SCHEMBL18801522 0.84 THRB (0.47) THRBFUT8ENPP2CYP1A2CA2
SCHEMBL14983602 0.82 FUT8 (0.48) THRBFUT8ENPP2CYP1A2CA2
SCHEMBL14514299 0.82 FUT8 (0.54) THRBFUT8ENPP2CYP1A2CA2
SCHEMBL31122162 0.82 THRB (0.75) THRBENPP2CYP1A2CA2CA3
SCHEMBL12955080 0.82 THRB (0.75) THRBENPP2CYP1A2CA2CA3
SCHEMBL1755507 0.82 THRB (0.75) THRBENPP2CYP1A2CA2CA3

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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
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 3581/4885FUT8 2015/4885ENPP2 3626/4885

“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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