SCHEMBL557029

SCHEMBL557029

NC(=O)C=Cc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
BLM P54132 1/20 0.45
F3 P13726 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
STAT3 P40763 3/20 0.41
GSK3B P49841 2/20 0.41
PELI1 Q96FA3 1/20 0.41
INPPL1 O15357 2/20 0.41
INPP5A Q14642 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL556786 0.84 THRB (0.61) SRCBLMF3CA1CA2
SCHEMBL28412768 0.80 F3 (0.61) SRCF3GSK3BHDAC3HDAC1
SCHEMBL1450230 0.79 F3 (0.52) F3CA1CA2PELI1HDAC3
SCHEMBL6951492 0.77 KDM4E (0.50) SRCBLMCA1CA2THRB
SCHEMBL2009524 0.77 F3 (0.72) F3THRBATMGSK3BHDAC3
SCHEMBL9019350 0.77 SRC (0.67) SRCBLMCA1CA2INPPL1
SCHEMBL1383345 0.77 F3 (0.72) F3THRBATMGSK3BHDAC3
SCHEMBL4606144 0.76 DRD1 (0.50) F3THRBATMHDAC3HDAC1
SCHEMBL4606148 0.76 DRD1 (0.50) F3THRBATMHDAC3HDAC1
SCHEMBL28415206 0.75 HCAR2 (0.48) F3KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US claimed
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 WO disclosed
US-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 SRC 16/4885BLM 3718/4885F3 162/4885

“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.