SCHEMBL4375001

SCHEMBL4375001

CN(NC(=O)OC(C)(C)C)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.42
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
RIPK1 Q13546 1/20 0.37
KCNQ4 P56696 3/20 0.36
KCNQ5 Q9NR82 3/20 0.36
SCN9A Q15858 1/20 0.36
CTSK P43235 1/20 0.36
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SYK P43405 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
SCHEMBL4376494 0.86 AKT1 (0.43) AKT1CTSSCTSLCTSBKCNQ4
SCHEMBL15135380 0.84 AKT1 (0.45) AKT1CTSSCTSLCTSBKCNQ4
SCHEMBL23151026 0.79 CES2 (0.40) RIPK1CES2BCHECES1LMNA
SCHEMBL4364528 0.78 AKT1 (0.40) AKT1CTSSCTSLCTSBRIPK1
SCHEMBL12060874 0.78 AKT1 (0.48) AKT1CTSSCTSLCTSBLMNA
SCHEMBL15135360 0.74 AKT1 (0.48) AKT1CTSSCTSLCTSBKMT2A
SCHEMBL15135598 0.73 AKT1 (0.39) AKT1CTSSCTSLCTSBKCNQ4
SCHEMBL13636272 0.73 AKT1 (0.41) AKT1CTSSCTSLCTSBCTSK
SCHEMBL4371184 0.73 AKT1 (0.50) AKT1CTSSCTSLCTSBLMNA
SCHEMBL20084192 0.73 GCK (0.39) AKT1SCN9ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
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 1050/4885CTSS 3304/4885CTSL 4503/4885

“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.