SCHEMBL6540355

SCHEMBL6540355

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.48
CDK2 P24941 2/20 0.40
GSK3B P49841 2/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
RCE1 Q9Y256 1/20 0.35
CYP19A1 P11511 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL6539707 0.93 PPARD (0.44) PPARDCDK2GSK3BPPARGPPARA
SCHEMBL6539910 0.88 PPARD (0.41) PPARDCDK2GSK3BMEN1ALDH1A1
SCHEMBL6539800 0.87 PPARD (0.43) PPARDPPARGPPARAKDM4EMEN1
SCHEMBL6538813 0.85 PPARD (0.43) PPARDCDK2GSK3BPPARGPPARA
SCHEMBL6539881 0.85 PPARD (0.51) PPARDCDK2GSK3BPPARGPPARA
SCHEMBL6539167 0.84 PPARD (0.44) PPARDCDK2GSK3BPPARGPPARA
SCHEMBL6539044 0.82 PPARD (0.44) PPARDCDK2GSK3BPPARGPPARA
SCHEMBL6539024 0.82 PPARD (0.43) PPARDPPARGPPARAKDM4EMEN1
SCHEMBL6539926 0.80 PPARD (0.40) PPARDCDK2GSK3BKDM4EMEN1
SCHEMBL6272841 0.79 PPARD (0.43) PPARDCDK2GSK3BPPARGPPARA

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 1747/4885CDK2 462/4885GSK3B 3866/4885

“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.