SCHEMBL2668376

SCHEMBL2668376

CCOC(=O)[C@H](Cc1ccco1)N1CCN(S(=O)(=O)C2CC2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.40
ALDH1A1 P00352 6/20 0.37
POLB P06746 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.35
RECQL P46063 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
SCHEMBL4103734 0.87 GCK (0.43) GCKALDH1A1POLBKDM4EMAPT
SCHEMBL2668375 0.68 TSHR (0.39) ALDH1A1POLBMAPTTDP1PKM
SCHEMBL4109808 0.67 GCK (0.46) GCKPOLB
SCHEMBL6778635 0.64 ALDH1A1 (0.49) ALDH1A1POLBKDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL6777275 0.63 ALDH1A1 (0.47) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL2837951 0.62 CTSS (0.50) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL2668227 0.62 ALDH1A1 (0.46) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL11008222 0.62 ALDH1A1 (0.46) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL28304764 0.61 SMN1; SMN2 (0.52) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL20543738 0.60 ALDH1A1 (0.44) ALDH1A1POLBKDM4EMAPTHSD17B10

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 3 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
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 GCK 1/4885ALDH1A1 1149/4885POLB 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.