SCHEMBL1756437

SCHEMBL1756437

O=C(O)Cc1csc(COc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.52
BCHE P06276 3/20 0.48
MME P08473 2/20 0.48
THRB P10828 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.46
TP53 P04637 1/20 0.46
PRMT5 O14744 1/20 0.46
PTGER4 P35408 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1756404 0.90 BCHE (0.56) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL12585477 0.85 PPARD (0.47) PPARDPPARAKDM4EGAABCHE
SCHEMBL12585476 0.82 MAPT (0.46) PPARDPPARAKDM4EALDH1A1GAA
SCHEMBL3568125 0.81 MAPT (0.56) PPARDPPARANPC1MAPTRAB9A
SCHEMBL4672078 0.79 PPARD (0.50) PPARDPPARAKDM4EBCHEFFAR1
SCHEMBL9428441 0.79 KDM4E (0.58) PPARAKDM4EALDH1A1HPGDGAA
SCHEMBL22640082 0.78 MAPT (0.48) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL4446197 0.77 MMP13 (0.53) PPARDPPARANPC1MAPTRAB9A
SCHEMBL12585504 0.77 ALDH1A1 (0.49) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL18975048 0.76 MAPT (0.54) KDM4EBCHETHRBSMN1; SMN2LMNA

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 17 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-2011067174-A1 ANILINE 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-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-7947728-B1 Indole and indazole analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS YUN WEIYA 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-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS 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
WO-2011058122-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 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 (7 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-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GSK3B PPARD 933/4885PPARA 1311/4885KDM4E 2609/4885
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARD 324/4885PPARA 299/4885KDM4E 2984/4885
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARD 309/4885PPARA 272/4885KDM4E 3393/4885
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 PPARD 819/4885PPARA 802/4885KDM4E 2700/4885
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARD 334/4885PPARA 478/4885KDM4E 2621/4885
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARD 140/4885PPARA 374/4885KDM4E 1989/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARD 896/4885PPARA 1229/4885KDM4E 2852/4885

“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.