SCHEMBL6123849

SCHEMBL6123849

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1N=Nc1ccc(N=Nc2ccc(SOOO)cc2)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ ENPP2 Q13822 3/20 0.35
▸ SENP2 Q9HC62 6/20 0.35
▸ SENP1 Q9P0U3 5/20 0.35
▸ SUMO2 P61956 4/20 0.35
▸ SUMO1 P63165 4/20 0.35
▸ SENP7 Q9BQF6 4/20 0.35
▸ SENP3 Q9H4L4 4/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ ATIC P31939 1/20 0.34
▸ SLC7A11 Q9UPY5 2/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ GLO1 Q04760 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ APP P05067 1/20 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
SCHEMBL6123910 0.93 PTPN11 (0.36) PTPN11ENPP2SLC7A11BRD4
SCHEMBL13798648 0.92 PTPN11 (0.37) PTPN11ENPP2SENP2SENP1SUMO2
SCHEMBL12191838 0.90 PTPN11 (0.35) PTPN11ENPP2BRD4TP53CREBBP
SCHEMBL6123828 0.87 PTPN11 (0.37) PTPN11ENPP2SENP2SENP1SUMO2
SCHEMBL6125388 0.87 ENPP2 (0.43) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL6123856 0.82 PTPN11 (0.33) PTPN11
SCHEMBL18257345 0.80 TP53 (0.38) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL6123876 0.80 SENP2 (0.53) PTPN11ENPP2SENP2SENP1SUMO2
SCHEMBL6126049 0.80 P2RX5 (0.41) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL13798646 0.80 PTPN11 (0.31) PTPN11

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-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 — — US disclosed
US-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — 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-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article JAK1, TMT1A, CDK1 PTPN11 344/4885ENPP2 4384/4885SENP2 4015/4885

“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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