SCHEMBL1756404

SCHEMBL1756404

Cc1ccc(-c2ccc(OCc3nc(CC(=O)O)cs3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
THRB P10828 1/20 0.51
TP53 P04637 1/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 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
SCHEMBL1756437 0.90 PPARD (0.53) BCHEKDM4EALDH1A1HPGDTHRB
SCHEMBL3555592 0.82 MAPT (0.57) BCHEALDH1A1PPARDPPARA
SCHEMBL4671833 0.80 BCHE (0.48) BCHEPPARDPPARA
SCHEMBL22640082 0.76 MAPT (0.48) BCHEKDM4EALDH1A1HPGDTP53
SCHEMBL25410911 0.76 LMNA (0.73) KDM4EALDH1A1HPGDTP53
SCHEMBL12585477 0.75 PPARD (0.47) BCHEKDM4ETHRBPPARDPPARA
SCHEMBL1756354 0.73 MAOB (0.60) ALDH1A1PPARD
SCHEMBL12585504 0.72 ALDH1A1 (0.49) BCHEKDM4EALDH1A1HPGDTHRB
SCHEMBL12585476 0.72 MAPT (0.46) BCHEKDM4EALDH1A1TP53PPARD
SCHEMBL3558198 0.72 MAPT (0.67) ALDH1A1HPGDPPARDPPARA

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
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-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-19 US disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS 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
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
US-20110112147-A1 INDAZOLONE 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-20110112161-A1 INDOLE AND INDAZOLE 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 BCHE 711/4885KDM4E 2609/4885ALDH1A1 820/4885
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL BCHE 613/4885KDM4E 2984/4885ALDH1A1 249/4885
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL BCHE 58/4885KDM4E 3393/4885ALDH1A1 311/4885
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 BCHE 477/4885KDM4E 2700/4885ALDH1A1 534/4885
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL BCHE 386/4885KDM4E 2621/4885ALDH1A1 596/4885
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL BCHE 1122/4885KDM4E 1989/4885ALDH1A1 460/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL BCHE 852/4885KDM4E 2852/4885ALDH1A1 785/4885

“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.