SCHEMBL1756362

SCHEMBL1756362

COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(C(=O)O)c2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.65
TP53 P04637 2/20 0.61
PKM P14618 2/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
GYS1 P13807 6/20 0.60
NR4A2 P43354 1/20 0.54

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
SCHEMBL1756441 0.88 GYS1 (0.75) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756363 0.86 GYS1 (0.81) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756338 0.79 MRGPRX4 (0.62) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480555 0.79 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756439 0.78 GYS1 (0.72) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756406 0.78 GYS1 (0.72) MRGPRX4GYS1
SCHEMBL8552529 0.77 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480416 0.77 MRGPRX4 (0.78) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756394 0.76 MRGPRX4 (0.69) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480538 0.76 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2

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 8 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
US-8039495-B2 Biphenyl carboxylic acids and bioisosteres as glycogen synthase activators HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
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
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
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-19 US 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 3745/4885TP53 3758/4885PKM 688/4885

“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.