SCHEMBL2659403

SCHEMBL2659403

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1nccs1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.55
CTSS P25774 2/20 0.55
POLB P06746 1/20 0.52
AAK1 Q2M2I8 2/20 0.52
GCK P35557 10/20 0.51
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 1/20 0.49
METAP1 P53582 1/20 0.46
FFAR2 O15552 1/20 0.46

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
SCHEMBL12228038 1.00 CTSK (0.55) CTSKCTSSPOLBAAK1GCK
SCHEMBL2672699 0.88 POLB (0.48) CTSKCTSSPOLBGCKEPHX2
SCHEMBL9072797 0.82 CTSS (0.53) CTSKCTSSAAK1GCKFFAR2
SCHEMBL2513951 0.82 ALDH1A1 (0.46) GCKMETAP1
SCHEMBL6820524 0.81 HSPA5 (0.61) CTSKCTSSMETAP1FFAR2
SCHEMBL27192711 0.80 CTSS (0.58) CTSKCTSSAAK1
SCHEMBL27192706 0.80 CTSS (0.58) CTSKCTSSAAK1
SCHEMBL27192808 0.80 CTSS (0.55) CTSKCTSSAAK1GCK
SCHEMBL27192669 0.80 CTSS (0.55) CTSKCTSSAAK1GCK
SCHEMBL14418794 0.77 ALDH1A1 (0.52) CTSKMETAP1

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 6 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
WO-2008116107-A2 PIPERAZINE DERIVATIVES AS GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-09-25 WO disclosed
WO-2008116107-A2 PIPERAZINE DERIVATIVES AS GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-09-25 WO 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 CTSK 100/4885CTSS 843/4885POLB 2173/4885

“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.