SCHEMBL4364528

SCHEMBL4364528

CN(NC(=O)OC(C)(C)C)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
RIPK1 Q13546 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
HTT P42858 1/20 0.38
CTSS P25774 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL15135598 0.86 AKT1 (0.39) AKT1KCNQ4KCNQ5CTSSCTSL
SCHEMBL4364572 0.84 EGLN2 (0.42) AKT1CTSSCTSLCTSBCTSK
SCHEMBL4375001 0.78 AKT1 (0.42) AKT1KCNQ4KCNQ5RIPK1CTSS
SCHEMBL17689154 0.77 RIPK1 (0.38) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL15135380 0.76 AKT1 (0.45) AKT1KCNQ4KCNQ5HTTCTSS
SCHEMBL4370713 0.75 FSCN1 (0.49) AKT1HTT
SCHEMBL4368478 0.75 IDO1 (0.41) AKT1
SCHEMBL15614546 0.74 MAPT (0.51) KCNQ4KCNQ5HTT
SCHEMBL4376494 0.73 AKT1 (0.43) AKT1KCNQ4KCNQ5CTSSCTSL
SCHEMBL12060874 0.73 AKT1 (0.48) AKT1HTTCTSSCTSLCTSB

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 1050/4885KCNQ4 3616/4885KCNQ5 3233/4885

“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.