SCHEMBL1756356

SCHEMBL1756356

COC(=O)c1cccc(COc2ccc(Br)cc2F)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.61
MRGPRX4 Q96LA9 14/20 0.59
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1756417 0.86 MRGPRX4 (0.73) CCR5MRGPRX4
SCHEMBL5700075 0.83 CCR5 (0.71) CCR5MRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL9368832 0.80 MRGPRX4 (0.73) MRGPRX4LOXL2NPC1ALDH1A1TP53
SCHEMBL31160279 0.80 MRGPRX4 (0.58) CCR5MRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL1756350 0.79 MRGPRX4 (0.51) CCR5MRGPRX4NPC1ALDH1A1TP53
SCHEMBL1756395 0.78 MRGPRX4 (0.70) MRGPRX4LOXL2NPC1ALDH1A1TP53
SCHEMBL31160402 0.78 MRGPRX4 (0.59) MRGPRX4LOXL2CYP4F2CYP4A11NPC1
SCHEMBL22469846 0.78 MRGPRX4 (0.76) MRGPRX4
SCHEMBL2706579 0.78 MRGPRX4 (0.57) CCR5MRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL1756352 0.77 MRGPRX4 (0.51) MRGPRX4NPC1ALDH1A1HTTRAB9A

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
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
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

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 CCR5 4003/4885MRGPRX4 3745/4885LOXL2 3292/4885

“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.