SCHEMBL557323

SCHEMBL557323

CCOP(=O)(OCC)Oc1ccc(/C(C)=C\C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
TBXAS1 P24557 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
BLM P54132 1/20 0.40
STAT6 P42226 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL557324 1.00 CA1 (0.49) CA1CA2BCHEACHENR4A1
SCHEMBL557322 1.00 CA1 (0.49) CA1CA2BCHEACHENR4A1
SCHEMBL557182 0.82 CA2 (0.44) CA1CA2BCHEACHELTB4R
SCHEMBL557184 0.82 CA2 (0.44) CA1CA2BCHEACHELTB4R
SCHEMBL557075 0.81 BLM (0.51) CA1CA2NR4A1NR4A2NR4A3
SCHEMBL556916 0.81 CA1 (0.57) CA1CA2BCHEACHEMEN1
SCHEMBL16069996 0.80 ALDH1A1 (0.45) NR4A1NR4A2NR4A3TBXAS1STAT6
SCHEMBL16069998 0.80 ALDH1A1 (0.45) NR4A1NR4A2NR4A3TBXAS1STAT6
SCHEMBL16069997 0.80 ALDH1A1 (0.45) NR4A1NR4A2NR4A3TBXAS1STAT6
SCHEMBL557183 0.80 CA2 (0.44) CA1CA2BCHEACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA1 4749/4885CA2 4451/4885BCHE 4848/4885

“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.