SCHEMBL2668227

SCHEMBL2668227

CCOC(=O)[C@H](Cc1ccco1)NCl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 4/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
SCHEMBL2837951 0.86 CTSS (0.50) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL4114851 0.82 CTSS (0.42) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL7892545 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HPGDCTSS
SCHEMBL3573493 0.79 CTSS (0.52) ALDH1A1HSD17B10MAPTCTSSCTSK
SCHEMBL6778635 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10MAPTHPGD
Hydrochloric Acid SCHEMBL6777275 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL20543738 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL11008222 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL29043782 0.76 MMP8 (0.44) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL28304764 0.75 SMN1; SMN2 (0.52) ALDH1A1TSHRHSD17B10MAPTHPGD

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 5 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

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 ALDH1A1 1149/4885TSHR 3402/4885HSD17B10 1081/4885

“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.