SCHEMBL1756359

SCHEMBL1756359

COC(=O)c1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.67
MAOB P27338 2/20 0.52
GYS1 P13807 6/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP13 P45452 1/20 0.52
RORC P51449 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR4A2 P43354 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL1756371 0.89 MRGPRX4 (0.65) MRGPRX4GYS1ADAMTS4MMP13RAB9A
SCHEMBL1756377 0.87 MRGPRX4 (0.65) MRGPRX4RAB9ASMN1; SMN2NR4A2TP53
SCHEMBL1756340 0.84 MRGPRX4 (0.63) MRGPRX4GYS1ADAMTS4MMP13RAB9A
SCHEMBL1756406 0.83 GYS1 (0.72) MRGPRX4GYS1
SCHEMBL2009729 0.83 MAOB (0.56) MRGPRX4MAOBALDH1A1PARP10
SCHEMBL22480886 0.81 MRGPRX4 (1.00) MRGPRX4MAOBNR4A2PARP10
SCHEMBL8157075 0.81 MRGPRX4 (0.70) MRGPRX4ADAMTS4MMP13RAB9ASMN1; SMN2
SCHEMBL2196098 0.80 MAOB (0.75) MRGPRX4MAOBNR4A2PARP10
SCHEMBL25942750 0.80 MRGPRX4 (0.72) MRGPRX4ADAMTS4MMP13RAB9ASMN1; SMN2
SCHEMBL21578904 0.79 MRGPRX4 (0.76) MRGPRX4ADAMTS4MMP13RAB9ASMN1; SMN2

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-8039495-B2 Biphenyl carboxylic acids and bioisosteres as glycogen synthase activators HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
WO-2011058154-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-19 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-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL MRGPRX4 3745/4885MAOB 648/4885GYS1 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.