SCHEMBL13818312

SCHEMBL13818312

CCN(c1cccc([SH](=O)=O)c1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHAT P28329 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL14290717 0.81 FUT8 (0.50) FUT8CA12CA1CA2CA9
SCHEMBL13809252 0.77 FUT8 (0.34) FUT8
SCHEMBL15452155 0.77 CA1 (0.40) CA12CA1CA2CA9APEX1
SCHEMBL15036163 0.76 FUT8 (0.55) FUT8MEN1THRBKMT2ACYP2C9
SCHEMBL9233802 0.75 FUT8 (0.53) FUT8CA12CA1CA2CA9
SCHEMBL5702813 0.75 FUT8 (0.50) FUT8CA12CA1CA2CA9
SCHEMBL30528721 0.75 FUT8 (0.50) FUT8CA12CA1CA2CA9
SCHEMBL8628445 0.73 FUT8 (0.71) FUT8MEN1THRBKMT2AALDH1A1
SCHEMBL8628450 0.73 FUT8 (0.71) FUT8MEN1THRBKMT2AALDH1A1
SCHEMBL7574337 0.73 FUT8 (0.42) FUT8CA12CA1CA2CA9

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-7553340-B2 Reactive dyes, a process for their preparation and their use HUNTSMAN INTERNATIONAL, LLC (US) 2009-06-30 — — US disclosed
US-20070294842-A1 Reactive Dyes, a Process for Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2007-12-27 — — 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-20070294842-A1 Reactive Dyes, a Process for Their Preparation and Their Use CBR3, ARSA, CBR1 FUT8 885/4885CA12 1324/4885CA1 917/4885

“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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