SCHEMBL6539751

SCHEMBL6539751

COc1ccc(-c2nc([S+](C)[O-])oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.39
PTGS2 P35354 3/20 0.38
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL6539157 0.83 ALDH1A1 (0.43) PPARDPTGS2CDK1KMT2AMEN1
SCHEMBL6539414 0.81 PPARD (0.43) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6540135 0.80 ADORA1 (0.42) PPARDPTGS2CDK1
SCHEMBL6539669 0.78 KDM4E (0.41) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6269691 0.78 PPARD (0.41) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6236506 0.77 PPARD (0.43) PPARDPTGS2KMT2AMEN1
SCHEMBL6229912 0.77 PPARD (0.40) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6538959 0.77 PPARD (0.40) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6539607 0.76 PPARD (0.41) PPARDPTGS2CHEK1CDK1KMT2A
SCHEMBL6539766 0.76 IKBKB (0.46) PPARDPTGS2KMT2AMEN1

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 1747/4885PTGS2 2/4885CHEK1 4590/4885

“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.