SCHEMBL13802991

SCHEMBL13802991

COc1nc(N)c(/N=N/c2cc3c(S(=O)(=O)O)cc(SOOO)cc3cc2S(=O)(=O)O)c(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ ENPP2 Q13822 3/20 0.33
▸ KDM4E B2RXH2 4/20 0.31
▸ SLC7A11 Q9UPY5 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ SUMO2 P61956 3/20 0.31
▸ SUMO1 P63165 3/20 0.31
▸ SENP7 Q9BQF6 3/20 0.31
▸ SENP2 Q9HC62 3/20 0.31
▸ SENP1 Q9P0U3 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ BLM P54132 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL13802967 0.87 PTPN11 (0.42) PTPN11PHLPP2ENPP2KDM4ESLC7A11
SCHEMBL13802986 0.86 PTPN11 (0.38) PTPN11ENPP2SUMO2SUMO1SENP7
SCHEMBL13814160 0.86 ENPP2 (0.41) PHLPP2ENPP2KDM4EPOLBMEN1
SCHEMBL13802965 0.82 PTPN11 (0.39) PTPN11ENPP2KDM4EPOLBMEN1
SCHEMBL13802996 0.80 PTPN11 (0.34) PTPN11ENPP2
SCHEMBL13814158 0.76 KDM4E (0.42) ENPP2KDM4EPOLBMEN1ALDH1A1
SCHEMBL13802882 0.72 PTPN11 (0.41) PTPN11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13949392 0.71 PTPN11 (0.43) PTPN11PHLPP2ENPP2KDM4ESLC7A11
SCHEMBL13814057 0.71 KDM4E (0.41) ENPP2KDM4EPOLBMEN1ALDH1A1
SCHEMBL13814015 0.69 SENP2 (0.39) PHLPP2ENPP2MEN1ALDH1A1KMT2A

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-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-06-04 — — 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-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing NR4A3, NR4A1, NR2E3 PTPN11 780/4885PHLPP2 3291/4885ENPP2 4325/4885

“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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