SCHEMBL6538909

SCHEMBL6538909

COc1ccc(-c2nc(/C(=N/O)C3CC3)oc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PIK3CA P42336 6/20 0.34
MTOR P42345 5/20 0.34
RCE1 Q9Y256 1/20 0.34
MMP14 P50281 1/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ABL1 P00519 1/20 0.33
PIK3CD O00329 1/20 0.33
CSNK2A2 P19784 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
JAK1 P23458 1/20 0.33
CHRM4 P08173 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
SCHEMBL6538915 1.00 PPARD (0.36) PPARDTAAR1PIK3CAMTORRCE1
SCHEMBL6539865 0.87 PPARD (0.36) PPARDTAAR1PIK3CARCE1ACACB
SCHEMBL6539804 0.87 GSK3B (0.36) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6539849 0.87 PPARD (0.36) PPARDTAAR1PIK3CARCE1ACACB
SCHEMBL6539798 0.87 GSK3B (0.36) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6540457 0.87 PPARD (0.41) PPARDTAAR1PIK3CAMTORRCE1
SCHEMBL6235990 0.81 PPARD (0.43) PPARDTAAR1RCE1ACACBACACA
SCHEMBL6539329 0.80 PPARD (0.41) PPARDTAAR1PIK3CAMTORRCE1
SCHEMBL6208169 0.79 PPARD (0.42) PPARDTAAR1PIK3CAMTORRCE1
SCHEMBL6232652 0.77 TAAR1 (0.41) PPARDTAAR1RCE1

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 1747/4885TAAR1 1264/4885PIK3CA 3495/4885

“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.