SCHEMBL1858751

SCHEMBL1858751

O=C(O)[C@H](CC1CCCC1)c1ccc(SC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
GCK P35557 2/20 0.35
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CPB2 Q96IY4 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 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
SCHEMBL1858753 1.00 MAOA (0.36) MAOAMAOBGCKAPPPSEN1
SCHEMBL1107471 0.88 GCK (0.39) GCK
SCHEMBL3387053 0.85 GCK (0.39) GCK
SCHEMBL2646161 0.84 AKR1C3 (0.40) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1107404 0.84 AKR1C3 (0.40) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2652108 0.83 GCK (0.35) GCK
SCHEMBL2665264 0.83 GCK (0.35) GCK
SCHEMBL2652112 0.83 GCK (0.35) GCK
SCHEMBL1867701 0.82 GCK (0.37) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1867699 0.82 GCK (0.37) GCKAPPPSEN1PSEN2APH1B

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-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 MAOA 3087/4885MAOB 3037/4885GCK 2/4885

“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.