SCHEMBL2015368

SCHEMBL2015368

N#Cc1cccc(COc2ccc(I)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 1/20 0.60
MAOB P27338 5/20 0.56
APP P05067 4/20 0.55
MAOA P21397 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
GRM5 P41594 2/20 0.52
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KCNH2 Q12809 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
SCHEMBL1248693 0.85 MAOB (0.66) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL8549374 0.84 FFAR1 (0.60) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL22874523 0.84 MAOB (0.62) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL13232461 0.84 GRM5 (0.62) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL1247999 0.83 MAOB (0.63) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL14163905 0.83 FFAR1 (0.63) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL863622 0.82 FFAR1 (0.58) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL1250474 0.81 ALOX5 (0.63) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL28558200 0.81 MAOB (0.76) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL21340514 0.80 FFAR1 (0.56) FFAR1FFAR4MAOBAPPMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 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-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL FFAR1 358/4885FFAR4 747/4885MAOB 1010/4885

“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.