SCHEMBL13880781

SCHEMBL13880781

COc1cc(N)ccc1/N=N/c1ccc(NS(=O)(=O)c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc(S(=O)(=O)CCOSOOO)cc5S(=O)(=O)O)c(O)c4c3N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.42
▸ ENPP2 Q13822 11/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 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
SCHEMBL13880853 0.98 THRB (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880932 0.97 THRB (0.45) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880946 0.95 THRB (0.45) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880776 0.94 THRB (0.39) THRBENPP2CD40CD40LGBRD4
SCHEMBL13880758 0.93 THRB (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880762 0.93 THRB (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880816 0.91 THRB (0.39) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880807 0.91 THRB (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880806 0.91 THRB (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14582559 0.91 THRB (0.41) THRBENPP2PHLPP2CD40CD40LG

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 3626/4885PHLPP2 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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