SCHEMBL557841

SCHEMBL557841

CC(=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(C(F)(F)[PH2]=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGS1 P23219 3/20 0.33
BACE1 P56817 1/20 0.31
NQO2 P16083 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL557009 0.79 LTB4R (0.34) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL557010 0.79 LTB4R (0.34) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL557121 0.78 NR4A1 (0.38) NR4A1NR4A2NR4A3
SCHEMBL557120 0.78 NR4A1 (0.38) NR4A1NR4A2NR4A3
SCHEMBL556261 0.77 KMT2A (0.41) NR4A1NR4A2NR4A3
SCHEMBL556293 0.71 TSHR (0.35) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL556294 0.71 TSHR (0.35) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL556416 0.69 CA1 (0.41)
SCHEMBL556415 0.69 CA1 (0.41)
SCHEMBL28393611 0.67 SMN1; SMN2 (0.45) NR4A1NR4A2NR4A3PTGS1PTGS2

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 NR4A1 1016/4885NR4A2 764/4885NR4A3 342/4885

“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.