SCHEMBL2177451

SCHEMBL2177451

COCCCOc1cc(/C=C/c2ccccc2OC)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.57
NFE2L2 Q16236 7/20 0.47
TRPA1 O75762 1/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.44
PLA2G2A P14555 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL2180227 0.86 GCK (0.79) GCK
SCHEMBL2177456 0.83 GCK (0.73) GCKNFE2L2TRPA1
SCHEMBL2175884 0.81 GCK (0.59) GCKNFE2L2NPC1RAB9ACYP1A1
SCHEMBL2178336 0.81 GCK (0.53) GCKNPC1RAB9AMAPTMEN1
SCHEMBL2178834 0.80 GCK (0.78) GCK
SCHEMBL2179867 0.80 GCK (0.53) GCK
SCHEMBL2176168 0.79 GCK (0.57) GCKNFE2L2FFAR1PPARGPPARD
SCHEMBL3487150 0.75 PLA2G2A (0.67) NPC1RAB9APLA2G2AMEN1KMT2A
SCHEMBL2180742 0.74 GCK (0.79) GCK
SCHEMBL2178758 0.74 SMN1; SMN2 (0.53) GCKNPC1RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885NFE2L2 370/4885TRPA1 4142/4885

“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.