SCHEMBL13635931

SCHEMBL13635931

CC(C)(C)OC(=O)NN(C=O)c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
NR3C2 P08235 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
RORC P51449 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL13636269 0.82 AKT1 (0.44) AKT1CA12CA1CA2CA9
SCHEMBL15135598 0.76 AKT1 (0.39) AKT1NR3C2KCNQ4KCNQ5KDM4D
SCHEMBL13636272 0.76 AKT1 (0.41) AKT1CA12CA1MEN1KMT2A
SCHEMBL4370713 0.72 FSCN1 (0.49) AKT1CA12CA1CA2CA9
SCHEMBL4364528 0.70 AKT1 (0.40) AKT1KCNQ4KCNQ5
SCHEMBL4369423 0.69 GAA (0.43) NR3C2KCNQ4KCNQ5MEN1KMT2A
SCHEMBL5068054 0.69 HPGD (0.50) NR3C2HPGDKMT2A
SCHEMBL1669034 0.69 KCNQ4 (0.47) AKT1KCNQ4KCNQ5HPGDMEN1
SCHEMBL4376494 0.68 AKT1 (0.43) AKT1KCNQ4KCNQ5CA12CA1
SCHEMBL4708240 0.68 IDO1 (0.50) HPGDMEN1KMT2ANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 AKT1 1050/4885NR3C2 81/4885KCNQ4 3616/4885

“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.