SCHEMBL13880593

SCHEMBL13880593

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cccc(C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)c3)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.55
▸ ENPP2 Q13822 9/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ LOX P28300 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL13880565 0.88 THRB (0.62) THRBENPP2PHLPP2CA2CA3
SCHEMBL14388932 0.86 THRB (0.55) THRBENPP2PHLPP2CA2CA3
SCHEMBL14388929 0.84 THRB (0.53) THRBENPP2PHLPP2CA2CA3
SCHEMBL14495138 0.84 THRB (0.66) THRBENPP2PHLPP2CA2CA3
SCHEMBL1755507 0.84 THRB (0.75) THRBENPP2PHLPP2CA2CA3
SCHEMBL12955080 0.84 THRB (0.75) THRBENPP2PHLPP2CA2CA3
SCHEMBL31122162 0.84 THRB (0.75) THRBENPP2PHLPP2CA2CA3
SCHEMBL2304017 0.83 THRB (0.74) THRBENPP2PHLPP2CA2CA3
SCHEMBL21221487 0.83 THRB (0.74) THRBENPP2PHLPP2CA2CA3
SCHEMBL14388840 0.82 THRB (0.63) THRBENPP2PHLPP2CA2CA3

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
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — WO 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 3626/4885PHLPP2 1011/4885

“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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