SCHEMBL13856552

SCHEMBL13856552

CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2C1c1ccc(N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 6/20 0.69
DUSP3 P51452 4/20 0.69
PTPN1 P18031 2/20 0.69
PPM1A P35813 1/20 0.69
PTPN9 P43378 1/20 0.69
PTPN5 P54829 1/20 0.69
PTPN18 Q99952 1/20 0.69
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
PTPN12 Q05209 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.54
POLB P06746 3/20 0.54
CSNK2A2 P19784 2/20 0.53
CSNK2B P67870 2/20 0.53
CSNK2A1 P68400 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTPN7 P35236 3/20 0.52
DUSP6 Q16828 1/20 0.52
BLM P54132 2/20 0.52

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
SCHEMBL14104225 0.94 PTPN22 (0.70) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856583 0.93 MEN1 (0.74) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856630 0.92 MEN1 (0.65) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856484 0.89 ALDH1A1 (0.69) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856628 0.89 PTPN22 (0.66) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856506 0.89 PTPN22 (0.66) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856789 0.87 CDC25B (0.67) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856618 0.85 MEN1 (0.73) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856602 0.85 PTPN22 (0.69) PTPN22DUSP3PTPN1PPM1APTPN9
SCHEMBL13856659 0.84 PTPN22 (0.69) PTPN22DUSP3PTPN1PPM1APTPN9

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-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB PTPN22 4669/4885DUSP3 2523/4885PTPN1 4764/4885

“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.