SCHEMBL1756448

SCHEMBL1756448

CCOC(=O)c1csc(COc2ccc(-c3cc(F)c(F)cc3OC)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
HSP90AA1 P07900 2/20 0.69
MMP13 P45452 6/20 0.49
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GYS1 P13807 6/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.44

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
SCHEMBL2011674 0.90 MAPT (0.67) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL1756392 0.88 POLB (0.52) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL17414635 0.87 POLB (0.51) MAPTRAB9ANPC1HSP90AA1POLB
SCHEMBL2010235 0.82 GYS1 (0.54) MAPTRAB9ANPC1HSP90AA1GYS1
SCHEMBL7071567 0.82 MAPT (1.00) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL1756435 0.81 GYS1 (0.45) MAPTRAB9ANPC1HSP90AA1POLB
SCHEMBL2011581 0.81 POLB (0.55) MAPTPOLBL3MBTL1GYS1MAPK1
SCHEMBL1756433 0.79 GYS1 (0.53) MAPTRAB9ANPC1HSP90AA1POLB
SCHEMBL1756429 0.79 MAPK1 (0.47) MAPTRAB9ANPC1HSP90AA1POLB
SCHEMBL2009245 0.78 POLB (0.54) MAPTPOLBL3MBTL1GYS1

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
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
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 (2 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 MAPT 2223/4885RAB9A 2816/4885NPC1 2219/4885
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL MAPT 2719/4885RAB9A 2552/4885NPC1 1924/4885

“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.