SCHEMBL13949157

SCHEMBL13949157

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc4c(O)c(N=Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(SOOO)cc4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.41
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ENPP2 Q13822 8/20 0.34
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL13538879 0.92 FUT8 (0.53) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13949165 0.91 ENPP2 (0.33) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13880626 0.90 FUT8 (0.50) FUT8CARM1PRMT1MEN1THRB
SCHEMBL14565547 0.90 FUT8 (0.50) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13387197 0.90 FUT8 (0.46) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13387299 0.88 FUT8 (0.43) FUT8CARM1PRMT1MEN1THRB
SCHEMBL14372027 0.88 FUT8 (0.49) FUT8MEN1THRBKMT2ATDP1
SCHEMBL14585721 0.87 FUT8 (0.49) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13599478 0.87 FUT8 (0.49) FUT8CARM1PRMT1MEN1THRB
SCHEMBL13387399 0.86 PRMT1 (0.42) FUT8CARM1PRMT1MEN1THRB

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-20090018317-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethysulfone group EVERLIGHT USA, INC. (US) 2009-01-15 — — 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-20090018317-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethysulfone group PADI1, PADI2, PADI4 FUT8 2117/4885CARM1 384/4885PRMT1 133/4885

“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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