SCHEMBL2669321

SCHEMBL2669321

CC(C)(C)OC(=O)NC(CC1CCC(F)(F)CC1)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.47
▸ TRPA1 O75762 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GCK P35557 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41

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
SCHEMBL17571407 0.81 TSHR (0.56) TRPA1TDP1CTSSCTSKL3MBTL1
SCHEMBL2669302 0.80 TRPA1 (0.48) TRPA1TDP1L3MBTL1MAPK1TSHR
SCHEMBL30135193 0.80 L3MBTL1 (0.52) TRPA1TDP1L3MBTL1MAPK1TSHR
SCHEMBL4102259 0.79 AAK1 (0.48) AAK1CTSSCTSKGCK
SCHEMBL2669275 0.78 L3MBTL1 (0.49) TDP1L3MBTL1MAPK1GCKTSHR
SCHEMBL9072905 0.77 CTSS (0.52) AAK1CTSSCTSKGCK
SCHEMBL9072799 0.77 CTSS (0.52) AAK1CTSSCTSKGCK
SCHEMBL22143939 0.75 CTSS (0.55) AAK1CTSSCTSKMAPK1TSHR
SCHEMBL1862035 0.75 CTSK (0.52) AAK1CTSSCTSK
SCHEMBL27032763 0.75 CTSS (0.55) AAK1CTSSCTSKMAPK1TSHR

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-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — 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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 AAK1 189/4885TRPA1 4472/4885TDP1 2843/4885

“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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