SCHEMBL6539167

SCHEMBL6539167

COc1ccc(-c2nc(CSc3ccncc3)oc2-c2ccc(OCCN(C(=O)O)C(C)(C)C)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.44
SLC22A12 Q96S37 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP19A1 P11511 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RCE1 Q9Y256 1/20 0.32

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
SCHEMBL6539465 0.88 PPARD (0.41) PPARDPPARGPPARATAAR1
SCHEMBL6540355 0.84 PPARD (0.48) PPARDPPARGPPARACYP19A1CDK2
SCHEMBL6538813 0.83 PPARD (0.43) PPARDPPARGPPARACYP19A1CDK2
SCHEMBL6539585 0.82 PPARD (0.41) PPARDSLC22A12PPARGPPARATAAR1
SCHEMBL6539707 0.82 PPARD (0.44) PPARDPPARGPPARACYP19A1CDK2
SCHEMBL6539881 0.81 PPARD (0.51) PPARDPPARGPPARACYP19A1CDK2
SCHEMBL6256472 0.81 PPARD (0.41) PPARDSLC22A12PPARGPPARATAAR1
SCHEMBL6539910 0.80 PPARD (0.41) PPARDCYP19A1CDK2GSK3BTAAR1
SCHEMBL6539044 0.80 PPARD (0.44) PPARDSLC22A12PPARGPPARACYP19A1
SCHEMBL6539024 0.80 PPARD (0.43) PPARDPPARGPPARACYP19A1

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 1747/4885SLC22A12 1616/4885PPARG 817/4885

“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.