SCHEMBL6538973

SCHEMBL6538973

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCNC(=O)NCC(N)=O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.43
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PDE5A O76074 1/20 0.35
PDE6A P16499 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SCN9A Q15858 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HDAC4 P56524 1/20 0.34
KDR P35968 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL6538983 0.91 PPARD (0.43) PPARDPIK3CAPIK3CGRCE1TAAR1
SCHEMBL6538834 0.91 PPARD (0.43) PPARDPIK3CAPIK3CGRCE1PPARG
SCHEMBL6207227 0.91 PPARD (0.44) PPARDPIK3CAPIK3CGRCE1PPARG
SCHEMBL6324981 0.87 PPARD (0.42) PPARDPIK3CAPIK3CGRCE1PPARG
SCHEMBL6207246 0.82 PPARD (0.45) PPARDRCE1PPARGPPARATAAR1
SCHEMBL6539657 0.81 PPARD (0.43) PPARDRCE1PPARGPPARATAAR1
SCHEMBL6207411 0.81 PPARD (0.41) PPARDRCE1TAAR1HDAC6HDAC1
SCHEMBL6206961 0.80 MTNR1A (0.44) PPARDHDAC6HDAC4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL6538837 0.80 PPARD (0.42) PPARDRCE1PPARGPPARATAAR1
SCHEMBL6324977 0.80 PPARD (0.42) PPARDPIK3CARCE1PPARGPPARA

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 1747/4885PIK3CA 3495/4885PIK3CG 4028/4885

“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.