SCHEMBL4102259

SCHEMBL4102259

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.48
▸ CTSS P25774 4/20 0.44
▸ CTSK P43235 4/20 0.44
▸ GRM5 P41594 5/20 0.44
▸ SCN9A Q15858 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.40
▸ GRM4 Q14833 3/20 0.40
▸ GCK P35557 2/20 0.40
▸ CTSL P07711 1/20 0.39

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
SCHEMBL4114863 0.91 GRM5 (0.42) AAK1CTSSCTSKGRM5USP30
SCHEMBL4109054 0.86 GRM5 (0.49) AAK1CTSSCTSKGRM5SCN9A
SCHEMBL2520163 0.86 GRM5 (0.49) AAK1CTSSCTSKGRM5SCN9A
SCHEMBL2668369 0.83 GRM5 (0.48) GRM5GRM4GCK
SCHEMBL4114950 0.82 GRM5 (0.44) GRM5GRM4GCK
SCHEMBL2669321 0.79 AAK1 (0.47) AAK1CTSSCTSKGCK
SCHEMBL4103721 0.78 GRM5 (0.47) AAK1GRM5SCN9A
SCHEMBL2668370 0.78 GCK (0.44) GRM5USP30GRM4GCK
SCHEMBL4102212 0.78 GRM5 (0.46) GRM5GRM4GCK
SCHEMBL9072799 0.77 CTSS (0.52) AAK1CTSSCTSKUSP30GCK

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 4 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-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
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 AAK1 189/4885CTSS 843/4885CTSK 100/4885

“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.

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