SCHEMBL1867701

SCHEMBL1867701

CC(C)Sc1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.37
POLB P06746 1/20 0.36
PTGS1 P23219 8/20 0.36
LMNA P02545 2/20 0.36
EPHX1 P07099 2/20 0.36
CHRM2 P08172 2/20 0.36
MEN1 O00255 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL1867699 1.00 GCK (0.37) GCKPOLBPTGS1LMNAEPHX1
SCHEMBL2646161 0.86 AKR1C3 (0.40) GCKLMNAMEN1KMT2AALDH1A1
SCHEMBL1107404 0.86 AKR1C3 (0.40) GCKLMNAMEN1KMT2AALDH1A1
SCHEMBL1858753 0.82 MAOA (0.36) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1858751 0.82 MAOA (0.36) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2647907 0.81 APP (0.37) GCKPTGS1MEN1KMT2AALDH1A1
SCHEMBL2646897 0.80 FFAR1 (0.36) GCKPOLBPTGS1EPHX1MEN1
SCHEMBL2647248 0.80 APP (0.41) GCKALDH1A1CHRM4SLC6A2SLC6A4
SCHEMBL27529941 0.79 GCK (0.41) GCKKCNH2APPPSEN1PSEN2
SCHEMBL1418768 0.79 CYP2C19 (0.47) POLBLMNACYP3A4CYP2C19EPHX2

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 GCK 2/4885POLB 2449/4885PTGS1 1519/4885

“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.