SCHEMBL13880938

SCHEMBL13880938

Cc1cc(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(SOOO)c(/N=N/c6ccc(S(=O)(=O)CCOSOOO)cc6)c(O)c5c4N)cc3)cc2)c(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ ENPP2 Q13822 7/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 7/20 0.34
▸ BRD3 Q15059 3/20 0.34
▸ BPTF Q12830 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ BAZ2B Q9UIF8 2/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ BRD2 P25440 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PHLPP2 Q6ZVD8 2/20 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
SCHEMBL13880948 0.98 THRB (0.43) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880777 0.96 THRB (0.40) THRBENPP2MEN1HTTKMT2A
SCHEMBL14374473 0.94 THRB (0.45) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880906 0.94 THRB (0.45) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880834 0.94 THRB (0.40) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880936 0.93 THRB (0.43) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880929 0.93 THRB (0.43) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880909 0.92 THRB (0.45) THRBENPP2MEN1HTTKMT2A
SCHEMBL13880951 0.92 THRB (0.45) THRBENPP2MEN1HTTKMT2A
SCHEMBL14374474 0.92 THRB (0.45) THRBENPP2MEN1HTTKMT2A

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 3626/4885MEN1 4346/4885

“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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