SCHEMBL556417

SCHEMBL556417

CCOP(=O)(OCC)Oc1ccc(C(=C(C(=O)O)c2cccc(Cl)c2Cl)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
TSHR P16473 1/20 0.35
F2R P25116 1/20 0.34
GAA P10253 2/20 0.34
GPR139 Q6DWJ6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL557122 0.83 SMN1; SMN2 (0.36) TAS1R3TAS1R1TAS1R2ERCC5FEN1
SCHEMBL557011 0.79 TSHR (0.41) TAS1R3TAS1R1TAS1R2ERCC5FEN1
SCHEMBL557185 0.66 CA2 (0.46) CA1CA2BCHEACHEGAA
SCHEMBL5026807 0.66 CA2 (0.70) CA1CA2BCHEACHETSHR
SCHEMBL556916 0.66 CA1 (0.57) CA1CA2BCHEACHETSHR
SCHEMBL4424767 0.65 CA2 (0.60) CA1CA2BCHEACHETSHR
Phosphoric Acid Diethyl Ester Phenyl Ester SCHEMBL133234 0.65 CA1 (0.59) CA1CA2BCHEACHETSHR
SCHEMBL22322001 0.64 CA2 (0.55) CA1CA2BCHEACHETSHR
Phosphoric Acid Diethyl Ester Phenyl Ester SCHEMBL29756498 0.64 CA1 (0.57) CA1CA2BCHEACHETSHR
SCHEMBL2324686 0.63 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2ERCC5FEN1

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 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.