SCHEMBL13949165

SCHEMBL13949165

O=C(O)CSc1nc(Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)nc(Nc2ccc3c(O)c(N=Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(SOOO)cc3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.32
▸ PRMT1 Q99873 2/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ CARM1 Q86X55 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL13949157 0.91 FUT8 (0.41) ENPP2MEN1THRBKMT2ACD40
SCHEMBL13949168 0.85 FUT8 (0.41) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL13949175 0.84 THRB (0.35) ENPP2THRBFUT8CYP1A2
SCHEMBL13538879 0.83 FUT8 (0.53) ENPP2MEN1THRBKMT2ATDP1
SCHEMBL13387197 0.81 FUT8 (0.46) ENPP2MEN1THRBKMT2ACD40
SCHEMBL13880626 0.81 FUT8 (0.50) ENPP2MEN1THRBKMT2ACD40
SCHEMBL14565547 0.81 FUT8 (0.50) ENPP2MEN1THRBKMT2ACD40
SCHEMBL13387299 0.79 FUT8 (0.43) ENPP2MEN1THRBKMT2ACD40
SCHEMBL14372027 0.79 FUT8 (0.49) ENPP2MEN1THRBKMT2ATDP1
SCHEMBL13949183 0.78 — —

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 ENPP2 3807/4885MEN1 4644/4885THRB 2600/4885

“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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