SCHEMBL6540586

SCHEMBL6540586

COc1ccc(C(NC(=O)C(=O)O)C(=O)c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PABPC1 P11940 1/20 0.54
ACACB O00763 4/20 0.48
ACACA Q13085 3/20 0.48
MAOB P27338 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
FFAR1 O14842 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP10 Q53GL7 1/20 0.42
SCD O00767 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6539604 0.88 MEN1 (0.53) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6540380 0.87 MEN1 (0.52) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6540335 0.87 RAB9A (0.52) ACACBMAOBNR4A1NR4A2NR4A3
SCHEMBL6258849 0.87 RAB9A (0.52) ACACBMAOBNR4A1NR4A2NR4A3
SCHEMBL6231187 0.87 MEN1 (0.55) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6206366 0.82 MEN1 (0.56) MEN1KMT2APABPC1ACACBACACA
Hydrochloric Acid SCHEMBL6207662 0.81 MEN1 (0.55) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6208425 0.78 MEN1 (0.56) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6539764 0.77 MEN1 (0.50) MEN1KMT2APABPC1ACACBACACA
SCHEMBL6207531 0.76 NPC1 (0.51) MEN1KMT2AACACBMAOBNR4A1

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 MEN1 4420/4885KMT2A 3081/4885PABPC1 2765/4885

“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.