SCHEMBL13880957

SCHEMBL13880957

C/N=N/c1c(S(=O)(=O)O)cc2c(SOOO)cc(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3)c(N)c2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.41
▸ CYP1A2 P05177 2/20 0.35
▸ ENPP2 Q13822 6/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SLC7A11 Q9UPY5 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ RECQL P46063 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
SCHEMBL13880864 0.93 THRB (0.34) THRBCYP1A2ENPP2MEN1KMT2A
SCHEMBL13880942 0.88 THRB (0.41) THRBCYP1A2ENPP2CA2CA3
SCHEMBL13880947 0.86 THRB (0.53) THRBCYP1A2ENPP2CA2CA3
SCHEMBL13880963 0.85 THRB (0.37) THRBCYP1A2ENPP2CA2CA3
SCHEMBL13880961 0.85 THRB (0.36) THRBENPP2CA2CA3MEN1
SCHEMBL13880958 0.84 ENPP2 (0.39) THRBCYP1A2ENPP2CA2CA3
SCHEMBL13880964 0.84 ENPP2 (0.39) THRBENPP2CA2CA3MEN1
SCHEMBL13880965 0.84 THRB (0.36) THRBENPP2CA2CA3
SCHEMBL13880821 0.82 THRB (0.35) THRBCYP1A2ENPP2HPGD
SCHEMBL13880866 0.82 THRB (0.33) THRBENPP2MEN1KMT2AHTT

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 3581/4885CYP1A2 4054/4885ENPP2 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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