SCHEMBL6540435

SCHEMBL6540435

COc1ccc(-c2nc(C(F)F)oc2-c2ccc(CCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
GRIA4 P48058 1/20 0.38
ALOX15B O15296 1/20 0.38
MTNR1A P48039 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL6539743 0.84 PPARD (0.38) CA12CA1CA2CA5ACA9
SCHEMBL6539599 0.83 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PPARD
SCHEMBL6539133 0.82 PTGS2 (0.43) HDAC6PPARD
SCHEMBL6538981 0.82 MAOB (0.54) ALDH1A1SMN1; SMN2HDAC6PPARD
SCHEMBL6540424 0.78 ALDH1A1 (0.42) ALDH1A1POLBMTNR1APPARD
SCHEMBL6539090 0.78 ALDH1A1 (0.38) ALDH1A1CNR2HDAC6PPARD
SCHEMBL2093102 0.76 CA12 (0.73) CA12CA1CA2CA5ACA9
SCHEMBL6539285 0.76 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2PPARD
SCHEMBL6539732 0.75 ADRA1D (0.45) ALDH1A1
SCHEMBL6230071 0.75 ESR2 (0.47) ALDH1A1POLBPPARD

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 CA12 3116/4885CA1 1632/4885CA2 336/4885

“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.