SCHEMBL1756441

SCHEMBL1756441

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

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 14/20 0.75
MRGPRX4 Q96LA9 6/20 0.66
TP53 P04637 2/20 0.66
PKM P14618 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
RAB9A P51151 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66

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
SCHEMBL1756406 0.90 GYS1 (0.72) GYS1MRGPRX4
SCHEMBL1756439 0.90 GYS1 (0.72) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756362 0.88 MRGPRX4 (0.65) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756338 0.87 MRGPRX4 (0.62) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756394 0.86 MRGPRX4 (0.69) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756438 0.86 GYS1 (1.00) GYS1
SCHEMBL2013773 0.85 GYS1 (0.70) GYS1
SCHEMBL17505960 0.84 GYS1 (0.67) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756384 0.84 GYS1 (0.79) GYS1
SCHEMBL16221598 0.83 GYS1 (0.67) GYS1MRGPRX4TP53PKMNFKB1

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
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
WO-2011058154-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 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-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL GYS1 2/4885MRGPRX4 3745/4885TP53 3758/4885

“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.