SCHEMBL13880751

SCHEMBL13880751

C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(/N=N/c4cc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5cc4S(=O)(=O)O)c(NC(N)=O)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.47
▸ CHAT P28329 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ CA12 O43570 9/20 0.37
▸ CA1 P00915 9/20 0.37
▸ CA2 P00918 9/20 0.37
▸ CA9 Q16790 9/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ PRMT1 Q99873 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL14400234 0.92 FUT8 (0.45) FUT8CHATUSP2APEX1CA12
SCHEMBL9270771 0.92 FUT8 (0.48) FUT8CHATUSP2APEX1CA12
SCHEMBL9740928 0.92 FUT8 (0.48) FUT8CHATUSP2APEX1CA12
SCHEMBL4167795 0.89 FUT8 (0.46) FUT8CHATUSP2APEX1CA12
SCHEMBL29637596 0.89 FUT8 (0.46) FUT8CHATUSP2APEX1CA12
SCHEMBL3653222 0.89 FUT8 (0.46) FUT8CHATUSP2APEX1CA12
SCHEMBL12053422 0.89 FUT8 (0.38) FUT8CHATUSP2APEX1CA12
SCHEMBL12377651 0.89 FUT8 (0.38) FUT8CHATUSP2APEX1CA12
SCHEMBL45600 0.87 FUT8 (0.44) FUT8CHATUSP2APEX1CA12
SCHEMBL18218268 0.86 FUT8 (0.48) FUT8CHATUSP2APEX1CA12

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 7 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
US-20070199162-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
US-20070199163-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — WO disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
EP-1529817-B1 Process for mono-, di- and trichromie dyeing and printing of natural and synthetic polyamide material DYSTAR TEXTILFARBEN GMBH & CO (DE) 2007-04-11 — — EP 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 4242/4885USP2 3544/4885

“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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