SCHEMBL2514653

SCHEMBL2514653

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.47
CTSL P07711 5/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP30 Q70CQ3 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CNR2 P34972 2/20 0.43
F2RL1 P55085 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 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
SCHEMBL2514651 1.00 CTSS (0.47) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL31161053 0.94 CNR2 (0.47) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL2669226 0.84 CTSL (0.47) CTSSCTSLCTSKCTSBUSP30
SCHEMBL2669295 0.82 KMT2A (0.45) CTSSCTSLCTSKCTSBUSP30
SCHEMBL12201410 0.81 USP30 (0.41) CTSSCTSLCTSKCTSBUSP30
SCHEMBL12201393 0.80 USP30 (0.40) CTSSCTSLCTSKCTSBUSP30
SCHEMBL9072783 0.80 GCK (0.41) CTSSCTSLCTSKCTSBUSP30
SCHEMBL3650260 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ECFTRHSD17B10
SCHEMBL3650262 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ECFTRHSD17B10
SCHEMBL30600058 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2CFTRHSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO claimed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US claimed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO 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
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 CTSS 843/4885CTSL 905/4885CTSK 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.