SCHEMBL6539478

SCHEMBL6539478

COc1ccc(-c2nc(SC)oc2-c2ccc(O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
FYN P06241 1/20 0.40
PPARD Q03181 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP2A6 P11509 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RCE1 Q9Y256 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL6538918 0.89 RCE1 (0.44) PPARDMEN1KMT2ACYP2A6L3MBTL1
SCHEMBL6231211 0.82 MEN1 (0.48) PPARDMEN1KMT2AL3MBTL1ATR
SCHEMBL6233898 0.82 ESR2 (0.49) PPARDMEN1KMT2A
SCHEMBL6325951 0.82 PPARD (0.38) PPARDMEN1KMT2AL3MBTL1MKNK1
SCHEMBL6233212 0.80 HSD17B1 (0.42) HSD17B1HSD17B2FYNPPARDMEN1
SCHEMBL6539740 0.79 HSD17B1 (0.41) HSD17B1HSD17B2FYNPPARDMEN1
SCHEMBL6539547 0.79 PPARD (0.44) HSD17B1HSD17B2FYNPPARDMEN1
SCHEMBL6538808 0.78 HSD17B1 (0.40) HSD17B1HSD17B2FYNPPARDMEN1
SCHEMBL6208237 0.78 MKNK1 (0.50) HSD17B1HSD17B2FYNPPARDMEN1
SCHEMBL6275255 0.78 LMNA (0.41) PPARDMEN1KMT2AMKNK1MKNK2

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 HSD17B1 142/4885HSD17B2 129/4885FYN 2738/4885

“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.