SCHEMBL6123828

SCHEMBL6123828

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1N=Nc1cc(SOOO)ccc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.37
▸ BRD4 O60885 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ ENPP2 Q13822 1/20 0.32
▸ SUMO2 P61956 1/20 0.30
▸ SUMO1 P63165 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP3 Q9H4L4 1/20 0.30
▸ SENP2 Q9HC62 1/20 0.30
▸ SENP1 Q9P0U3 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
SCHEMBL13798648 0.93 PTPN11 (0.37) PTPN11BRD4TP53CREBBPENPP2
SCHEMBL12191838 0.90 PTPN11 (0.35) PTPN11BRD4TP53CREBBPENPP2
SCHEMBL6123910 0.88 PTPN11 (0.36) PTPN11BRD4ENPP2
SCHEMBL6123849 0.87 PTPN11 (0.40) PTPN11BRD4TP53CREBBPENPP2
SCHEMBL6123856 0.86 PTPN11 (0.33) PTPN11
SCHEMBL6125338 0.84 ENPP2 (0.41) BRD4TP53CREBBPENPP2SUMO2
SCHEMBL13798646 0.84 PTPN11 (0.31) PTPN11
SCHEMBL12758902 0.82 PTPN11 (0.32) PTPN11
SCHEMBL6123832 0.81 SENP2 (0.41) BRD4TP53CREBBPENPP2SUMO2
SCHEMBL19958129 0.79 BRD4 (0.40) BRD4TP53CREBBPENPP2SUMO2

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 344/4885BRD4 2209/4885TP53 53/4885

“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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