SCHEMBL6539374

SCHEMBL6539374

COc1ccc(-c2nc(C(=O)C3CC3)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.37
RCE1 Q9Y256 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GSK3B P49841 3/20 0.35
AKT1 P31749 2/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKX P51817 1/20 0.35

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
SCHEMBL6539804 0.89 GSK3B (0.36) PPARDRCE1ACACBACACAGSK3B
SCHEMBL6539798 0.89 GSK3B (0.36) PPARDRCE1ACACBACACAGSK3B
SCHEMBL6540457 0.88 PPARD (0.41) PPARDRCE1ACACBACACAAKT1
SCHEMBL6538954 0.87 PPARD (0.38) PPARDRCE1ACACBACACAGSK3B
SCHEMBL6539461 0.85 HRH3 (0.38) PPARDRCE1GSK3BAKT1DYRK3
SCHEMBL6539690 0.84 HPGD (0.42) PPARDRCE1GSK3BAKT1DYRK3
SCHEMBL6540113 0.84 TP53 (0.39) PPARDRCE1GSK3BAKT1DYRK3
SCHEMBL6540567 0.81 ALDH1A1 (0.39) PPARDRCE1GSK3BAKT1DYRK3
SCHEMBL6207411 0.80 PPARD (0.41) PPARDRCE1GSK3BAKT1DYRK3
SCHEMBL6540528 0.80 ALDH1A1 (0.38) PPARDRCE1GSK3BAKT1DYRK3

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885RCE1 337/4885ACACB 723/4885

“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.