SCHEMBL2652322

SCHEMBL2652322

COC(=O)c1cccc(OCc2cccc(OC(C)C)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.67
MAOB P27338 6/20 0.53
NR4A2 P43354 2/20 0.52
MAOA P21397 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
SMPD1 P17405 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL9372702 0.95 MRGPRX4 (0.70) MRGPRX4MAOBLOXL2ADAMTS4MMP13
SCHEMBL10411878 0.89 MRGPRX4 (0.77) MRGPRX4MAOBNR4A2MAOACYSLTR1
SCHEMBL1122805 0.88 MRGPRX4 (0.71) MRGPRX4MAOBNR4A2CYSLTR1SMPD1
SCHEMBL6174966 0.86 SMN1; SMN2 (0.59) LOXL2
SCHEMBL9372701 0.86 MRGPRX4 (0.69) MRGPRX4MAOBLOXL2ADAMTS4MMP13
SCHEMBL2654709 0.85 MRGPRX4 (0.71) MRGPRX4MAOBNR4A2MAOACYSLTR1
SCHEMBL30412034 0.85 MAOB (0.73) MRGPRX4MAOBNR4A2CYSLTR1SMPD1
SCHEMBL976424 0.85 MAOB (0.73) MRGPRX4MAOBNR4A2CYSLTR1SMPD1
SCHEMBL10659025 0.84 MRGPRX4 (0.74) MRGPRX4MAOBMAOA
SCHEMBL7719391 0.84 MRGPRX4 (0.70) MRGPRX4MAOBNR4A2MAOACYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062351-A1 Benzoyl amino pyridyl carboxylic acid derivatives useful as glucokinase (glk) activators ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1697325-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005056530-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2005-06-23 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-20090062351-A1 Benzoyl amino pyridyl carboxylic acid derivatives useful as glucokinase (glk) activators GCK, GCKR, GALK1 MRGPRX4 928/4885MAOB 713/4885NR4A2 3352/4885

“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.