SCHEMBL4114002

SCHEMBL4114002

COC(=O)C(CC1CCCCC1)NC(=O)CNS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
CTSK P43235 6/20 0.36
CTSS P25774 1/20 0.36
REN P00797 1/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSH P09668 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRM1 Q13255 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

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
SCHEMBL28563624 0.79 GRN (0.40) GRNSORT1CTSKCTSSCTSL
SCHEMBL4241732 0.79 GRN (0.40) GRNSORT1CTSKCTSSCTSL
Hydrochloric Acid SCHEMBL15543179 0.78 CHRNB2 (0.43) GRNSORT1CTSKCTSSREN
Hydrochloric Acid SCHEMBL15543180 0.78 CHRNB2 (0.43) GRNSORT1CTSKCTSSREN
SCHEMBL23052492 0.77 REN (0.44) GRNSORT1CTSKCTSSREN
SCHEMBL25523633 0.77 CTSK (0.45) GRNSORT1CTSKCTSSCTSL
SCHEMBL26985789 0.77 CHRNB2 (0.45) GRNSORT1CTSKCTSSCTSL
SCHEMBL27136207 0.77 CHRNB2 (0.45) GRNSORT1CTSKCTSSCTSL
SCHEMBL5946118 0.76 CTSK (0.36) GRNSORT1CTSKCTSSCTSL
SCHEMBL5946123 0.76 CTSK (0.36) GRNSORT1CTSKCTSSCTSL

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 GRN 1509/4885SORT1 3827/4885CTSK 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.