SCHEMBL13880964

SCHEMBL13880964

COc1cc(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(S(=O)(=O)O)cc5c(SOOO)cc(/N=N/c6ccc(S(=O)(=O)CCOSOOO)cc6)c(N)c5c4O)cc3)cc2)c(N)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.39
▸ BRD4 O60885 4/20 0.36
▸ THRB P10828 2/20 0.35
▸ AMY1A P0DUB6 2/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ SMARCA4 P51532 1/20 0.30
▸ BPTF Q12830 1/20 0.30
▸ BRD3 Q15059 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ KAT2B Q92831 1/20 0.30
▸ BRD7 Q9NPI1 1/20 0.30
▸ BAZ2B Q9UIF8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL13880877 0.96 ENPP2 (0.38) ENPP2BRD4THRBKDM4EMEN1
SCHEMBL13880968 0.93 ENPP2 (0.39) ENPP2BRD4THRBAMY1ACA2
SCHEMBL13880940 0.93 BRD4 (0.36) ENPP2BRD4THRBAMY1ASMARCA4
SCHEMBL13880961 0.93 THRB (0.36) ENPP2BRD4THRBAMY1ACA2
SCHEMBL13880958 0.92 ENPP2 (0.39) ENPP2BRD4THRBAMY1ACA2
SCHEMBL13880965 0.92 THRB (0.36) ENPP2BRD4THRBAMY1ACA2
SCHEMBL13880963 0.91 THRB (0.37) ENPP2BRD4THRBAMY1ACA2
SCHEMBL13880954 0.91 THRB (0.43) ENPP2BRD4THRBCA2CA3
SCHEMBL13880866 0.89 THRB (0.33) ENPP2BRD4THRBSMARCA4BPTF
SCHEMBL13880863 0.89 ENPP2 (0.37) ENPP2BRD4THRBCA2CA3

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 3626/4885BRD4 870/4885THRB 3581/4885

“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.

Send feedback