SCHEMBL4109092

SCHEMBL4109092

CCOC(=O)[C@H](Cc1ccco1)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
KLK5 Q9Y337 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APC P25054 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL1673614 0.82 KLK5 (0.56) CTSSCTSKSCN9AMAPTKLK5
SCHEMBL1673615 0.82 KLK5 (0.56) CTSSCTSKSCN9AMAPTKLK5
SCHEMBL2837951 0.80 CTSS (0.50) CTSSCTSKALDH1A1MAPTHPGD
SCHEMBL4114851 0.79 CTSS (0.42) CTSSCTSKALDH1A1MAPTHPGD
SCHEMBL17177 0.77 CACNA1B (0.49) CTSSCTSKSCN9AKLK5L3MBTL1
SCHEMBL17178 0.77 CACNA1B (0.49) CTSSCTSKSCN9AKLK5L3MBTL1
SCHEMBL6737619 0.77 CYP3A4 (0.49) CTSSCTSKSCN9AALDH1A1KLK5
SCHEMBL16460386 0.77 CTSS (0.64) CTSSCTSKALDH1A1KLK5GAA
SCHEMBL16460387 0.77 CTSS (0.64) CTSSCTSKALDH1A1KLK5GAA
SCHEMBL2668375 0.76 TSHR (0.39) CTSSCTSKALDH1A1MAPTPKM

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 2 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-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 CTSS 843/4885CTSK 100/4885SCN9A 2814/4885

“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.