SCHEMBL2178493

SCHEMBL2178493

COCCCOc1cc(COC(C)=O)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NR1H4 Q96RI1 4/20 0.38
PLA2G4B P0C869 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 2/20 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
SCHEMBL2175665 0.83 PLA2G2A (0.53) PLA2G2AKMT2AMEN1ALDH1A1CREBBP
SCHEMBL3487150 0.82 PLA2G2A (0.67) PLA2G2AKMT2AMEN1NR1H4PLA2G4B
SCHEMBL2178496 0.79 GCK (0.45) ALDH1A1
SCHEMBL56353 0.78 PLA2G2A (0.61) PLA2G2AKMT2AMEN1PLA2G4BMRGPRX4
SCHEMBL8265212 0.78 EGLN1 (0.42) PLA2G2AKMT2AMEN1MRGPRX4TP53
SCHEMBL2176169 0.78 CHRNB2 (0.50) KMT2AALDH1A1TP53NFKB1RAB9A
SCHEMBL13461246 0.77 PLA2G2A (0.73) PLA2G2AKMT2ANR1H4PLA2G4BTP53
SCHEMBL3488958 0.77 MEN1 (0.75) PLA2G2AKMT2AMEN1NR1H4PLA2G4B
SCHEMBL1792464 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1MRGPRX4POLB
SCHEMBL2176339 0.76 GCK (0.43)

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 PLA2G2A 4121/4885KMT2A 2309/4885MEN1 4297/4885

“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.