SCHEMBL13880704

SCHEMBL13880704

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)ccc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)c3c2O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ CHAT P28329 3/20 0.41
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ THRB P10828 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ENPP2 Q13822 2/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ PRMT1 Q99873 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ P2RY6 Q15077 1/20 0.33

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
SCHEMBL8578076 0.85 FUT8 (0.57) FUT8CHATENPP3ENPP1THRB
SCHEMBL9454016 0.84 FUT8 (0.48) FUT8CHATENPP3ENPP1THRB
SCHEMBL13880684 0.83 THRB (0.45) FUT8CHATTHRBENPP2CYP1A2
SCHEMBL13880675 0.83 FUT8 (0.60) FUT8CHATENPP3ENPP1THRB
SCHEMBL12173026 0.83 FUT8 (0.74) FUT8CHATENPP3ENPP1THRB
SCHEMBL3699268 0.82 FUT8 (0.61) FUT8CHATENPP3ENPP1THRB
SCHEMBL13880678 0.82 FUT8 (0.61) FUT8CHATENPP3ENPP1THRB
SCHEMBL30950828 0.82 FUT8 (0.61) FUT8CHATENPP3ENPP1THRB
SCHEMBL16664577 0.81 FUT8 (0.51) FUT8CHATENPP3ENPP1THRB
SCHEMBL16560632 0.80 FUT8 (0.51) FUT8CHATENPP3ENPP1THRB

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 FUT8 2015/4885CHAT 4242/4885ENPP3 2810/4885

“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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