SCHEMBL13880558

SCHEMBL13880558

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3O)c(O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ ENPP2 Q13822 7/20 0.59
▸ CYP1A2 P05177 2/20 0.57
▸ PRMT1 Q99873 1/20 0.53
▸ PHLPP2 Q6ZVD8 2/20 0.52
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ THRB P10828 2/20 0.48
▸ USP2 O75604 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NT5E P21589 1/20 0.42
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40

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
SCHEMBL14493254 0.93 MEN1 (0.57) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL14495438 0.87 PRMT1 (0.51) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL4991193 0.85 PRMT1 (0.48) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL4991205 0.85 PRMT1 (0.48) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL13880569 0.84 CYP1A2 (0.44) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL13069596 0.84 CYP1A2 (0.51) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL13880553 0.83 THRB (0.43) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL24157447 0.83 THRB (0.60) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL16551869 0.83 THRB (0.60) MEN1KMT2AHTTENPP2CYP1A2
SCHEMBL14613209 0.83 PRMT1 (0.51) MEN1KMT2AHTTENPP2CYP1A2

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
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 MEN1 4346/4885KMT2A 2796/4885HTT 2734/4885

“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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