SCHEMBL6540447

SCHEMBL6540447

COc1ccc(-c2oc(S(C)(=O)=O)nc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PPARD Q03181 2/20 0.41
KCNH2 Q12809 1/20 0.40
SNCA P37840 1/20 0.40
MMP14 P50281 1/20 0.39
ATM Q13315 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
OXTR P30559 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ATR Q13535 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL6539762 0.87 PTGS2 (0.46) MEN1KMT2APPARDPTGS2PTGS1
SCHEMBL6278231 0.82 RCE1 (0.40) RCE1TAAR1CA1CA2PPARD
SCHEMBL6209281 0.81 PPARD (0.49) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6207562 0.79 RCE1 (0.46) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6540217 0.78 NR4A2 (0.51) RCE1MEN1KMT2ATAAR1PPARD
SCHEMBL6538918 0.78 RCE1 (0.44) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6228805 0.77 MKNK1 (0.50) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6230344 0.77 RCE1 (0.43) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6539358 0.77 RCE1 (0.46) RCE1MEN1KMT2ATAAR1CA1
SCHEMBL6207843 0.77 MEN1 (0.45) RCE1MEN1KMT2ATAAR1CA1

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 RCE1 337/4885MEN1 4420/4885KMT2A 3081/4885

“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.