SCHEMBL13802882

SCHEMBL13802882

Cc1c(C#N)c(N)nc(N)c1/N=N/c1cc(SOOO)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL13802986 0.86 PTPN11 (0.38) PTPN11
SCHEMBL13802965 0.85 PTPN11 (0.39) PTPN11ALDH1A1HPGDKDM4E
SCHEMBL13802967 0.85 PTPN11 (0.42) PTPN11ALDH1A1HPGDKDM4ECASP1
SCHEMBL13425395 0.84 PTPN11 (0.46) PTPN11
SCHEMBL13802961 0.82 PTPN11 (0.46) PTPN11
SCHEMBL13814051 0.82 P2RX3 (0.40) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13425384 0.80 PTPN11 (0.42) PTPN11
SCHEMBL13802980 0.77 PTPN11 (0.47) PTPN11KDM4ECASP1CASP7HSD17B10
SCHEMBL13802996 0.76 PTPN11 (0.34) PTPN11
SCHEMBL13425394 0.75 PTPN11 (0.38) PTPN11ALDH1A1

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 780/4885ALDH1A1 2244/4885HPGD 2597/4885

“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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