SCHEMBL557183

SCHEMBL557183

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLK1 P53350 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL557322 0.80 CA1 (0.49) CA2CA1BCHEACHEMEN1
SCHEMBL557324 0.80 CA1 (0.49) CA2CA1BCHEACHEMEN1
SCHEMBL557323 0.80 CA1 (0.49) CA2CA1BCHEACHEMEN1
SCHEMBL556252 0.79 PDPK1 (0.40) MEN1KMT2APOLBMAOBLMNA
SCHEMBL6679337 0.74 THRB (0.55) CA2CA1BCHEACHEKMT2A
SCHEMBL6679336 0.74 THRB (0.55) CA2CA1BCHEACHEKMT2A
SCHEMBL28915530 0.74 PDPK1 (0.48) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL5026807 0.73 CA2 (0.70) CA2CA1BCHEACHEMEN1
SCHEMBL556916 0.73 CA1 (0.57) CA2CA1BCHEACHEMEN1
SCHEMBL557184 0.72 CA2 (0.44) CA2CA1BCHEACHEMEN1

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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 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 CA2 4451/4885CA1 4749/4885BCHE 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.