SCHEMBL6539762

SCHEMBL6539762

COc1ccc(-c2nc(S(C)(=O)=O)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
PTGS1 P23219 3/20 0.45
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6540447 0.87 RCE1 (0.47) PTGS2PTGS1PPARDKMT2AMEN1
SCHEMBL6540419 0.85 ALDH1A1 (0.44) PPARDKDM4EALDH1A1L3MBTL1GSK3B
SCHEMBL6276970 0.81 MTNR1A (0.44) PTGS2PPARDKDM4EALDH1A1NPSR1
SCHEMBL11707506 0.81 PTGS2 (0.61) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL19953600 0.77 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6539003 0.76 ALDH1A1 (0.46) PTGS2PPARDKDM4EALDH1A1NPSR1
SCHEMBL31194858 0.76 MAPK13 (0.54) PTGS2PTGS1PPARDKDM4EALDH1A1
SCHEMBL8146313 0.74 PTGS2 (0.61) PTGS2PTGS1LMNA
SCHEMBL11755675 0.74 ALDH1A1 (0.45) PTGS2PPARDKDM4EALDH1A1NPSR1
SCHEMBL3105040 0.74 ALDH1A1 (0.45) PTGS2PPARDKDM4EALDH1A1NPSR1

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 PTGS2 2/4885PTGS1 1/4885PPARD 1747/4885

“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.