SCHEMBL2649313

SCHEMBL2649313

O=C(O)[C@H](CC1CCCCC1)N1C(=O)N[C@@H](CC2CCCCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.36
MMP9 P14780 3/20 0.36
MMP7 P09237 2/20 0.36
MMP3 P08254 1/20 0.36
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
ROCK2 O75116 2/20 0.33
CCR5 P51681 3/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL2649312 1.00 MMP1 (0.36) MMP1MMP9MMP7MMP3GRN
SCHEMBL2649303 1.00 MMP1 (0.36) MMP1MMP9MMP7MMP3GRN
SCHEMBL2669026 0.88 MMP1 (0.35) MMP1MMP9MMP7MMP3ROCK2
SCHEMBL1107319 0.86 MMP1 (0.36) MMP1MMP9MMP7MMP3ROCK2
SCHEMBL2648991 0.75 GCK (0.56)
SCHEMBL6163722 0.75 GCK (0.51) ROCK2
SCHEMBL6164160 0.75 GCK (0.56)
SCHEMBL2649709 0.75 GCK (0.51) ROCK2
SCHEMBL2648770 0.75 GCK (0.51) ROCK2
SCHEMBL6164168 0.75 GCK (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280801-B1 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-07 EP disclosed
US-6784298-B2 2-((3-CYCLOHEXYL-2-(2,5-DIOXO-4-(THIOPHEN-2-YL)METHYLIMIDA-ZOL IDIN-1-YL)PROPANOYL)AMINO) THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER, E.G.; ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS; A GLUCOSE SENSOR IN BETA-CELLS AND HEPATOCYTES HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
US-20030225286-A1 Hydantoin-containing glucokinase activators GOODNOW ROBERT ALAN (US) 2003-12-04 US disclosed
US-6583288-B2 (S,S)-2-((2-(4-(cyclohexyl)methyl-2,5-dioxoimidazolidin-1-yl)-3 -cyclopentylpropanoyl) amino)thiazole-4-carboxylic acid, methyl ester for example; for treatment of diabetes HOFFMAN-LA ROCHE INC. 2003-06-24 US disclosed
EP-1280801-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20010056191-A1 Hydantoin-containing glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001083478-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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 (2 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-20030225286-A1 Hydantoin-containing glucokinase activators GCK, GCKR, HK2 MMP1 385/4885MMP9 1057/4885MMP7 1042/4885
US-20010056191-A1 Hydantoin-containing glucokinase activators GCK, GCKR, HK2 MMP1 385/4885MMP9 1057/4885MMP7 1042/4885

“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.