SCHEMBL4114863

SCHEMBL4114863

CC(C)(C)OC(=O)NCC(=O)NC(CC1CCOCC1)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ GCK P35557 2/20 0.38
▸ GRM4 Q14833 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP30 Q70CQ3 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
SCHEMBL4102259 0.91 AAK1 (0.48) GRM5AAK1CTSSCTSKGCK
SCHEMBL4103721 0.87 GRM5 (0.47) GRM5AAK1MAPK1
SCHEMBL4114950 0.82 GRM5 (0.44) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2668370 0.81 GCK (0.44) GRM5GCKGRM4USP30
SCHEMBL2668369 0.79 GRM5 (0.48) GRM5GCKGRM4
SCHEMBL2520163 0.78 GRM5 (0.49) GRM5AAK1CTSSCTSK
SCHEMBL4109054 0.78 GRM5 (0.49) GRM5AAK1CTSSCTSK
SCHEMBL4102212 0.73 GRM5 (0.46) GRM5GCKGRM4
SCHEMBL9072799 0.71 CTSS (0.52) AAK1CTSSCTSKGCKUSP30
SCHEMBL2669321 0.71 AAK1 (0.47) AAK1CTSSCTSKGCKMAPK1

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-8173645-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-05-08 — — US disclosed
US-20090099163-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2009-04-16 — — 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-20090099163-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM5 2182/4885AAK1 189/4885PSEN1 3448/4885

“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.

Send feedback