SCHEMBL4134655

SCHEMBL4134655

CC(C)(C)OC(=O)Nc1nc(C(O)=S)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
PI4KB Q9UBF8 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LCK P06239 4/20 0.40
SIRT1 Q96EB6 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
EGFR P00533 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL2213116 0.88 L3MBTL1 (0.62) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL8446209 0.86 L3MBTL1 (0.48) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL4687185 0.85 L3MBTL1 (0.50) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL12714512 0.84 L3MBTL1 (0.47) L3MBTL1PI4KBHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL19330677 0.84 L3MBTL1 (0.47) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL3382178 0.84 CYP1A2 (0.48) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL3601899 0.84 L3MBTL1 (0.45) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL17648650 0.84 L3MBTL1 (0.45) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL9915509 0.83 L3MBTL1 (0.46) L3MBTL1PI4KBHDAC3HDAC1HDAC2
SCHEMBL31079908 0.83 L3MBTL1 (0.44) L3MBTL1PI4KBHDAC3HDAC1HDAC2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-01-17 US disclosed
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes METABASIS THERAPEUTICS, INC. (US) 2008-01-03 US disclosed
US-7312219-B2 Heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-12-25 US disclosed
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-04 US disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
EP-1143955-B1 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS INC (US) 2005-07-27 EP disclosed
EP-1552850-A2 A combination of FBPase inhibitors and insulin sensitizers for the treatment of diabetes Metabasis Therapeutics, Inc. (US) 2005-07-13 EP disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
US-20040167178-A1 Combination of FBPase inhibitors and insulin sensitizers for the treatment of diabetes ERION MARK D (US) 2004-08-26 US disclosed
US-20040058892-A1 Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase DANG QUN (US) 2004-03-25 US disclosed
EP-1112275-B9 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2004-03-10 EP disclosed
EP-1112275-B1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-07-30 EP disclosed
US-6489476-B1 FRUCTOSE-1,6-BISPHOSPHATASE ENZYME INHIBITORS ARE USEFUL IN THE TREATMENT OF DIABETES AND OTHER CONDITIONS ASSOCIATED WITH ELEVATED BLOOD GLUCOSE OR EXCESS GLYCOGEN STORAGE. METABASIS THERAPEUTICS, INC. 2002-12-03 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 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 (8 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-20040058892-A1 Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase FBP1, G6PC1, HK1 L3MBTL1 3291/4885PI4KB 1233/4885HDAC3 2342/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 L3MBTL1 3817/4885PI4KB 1391/4885HDAC3 2095/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 L3MBTL1 2215/4885PI4KB 367/4885HDAC3 1308/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 L3MBTL1 2970/4885PI4KB 424/4885HDAC3 1124/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 L3MBTL1 2970/4885PI4KB 424/4885HDAC3 1124/4885
US-20040167178-A1 Combination of FBPase inhibitors and insulin sensitizers for the treatment of diabetes FBP1, G6PC1, IRS1 L3MBTL1 3863/4885PI4KB 1185/4885HDAC3 687/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 L3MBTL1 3817/4885PI4KB 1391/4885HDAC3 2095/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 L3MBTL1 3863/4885PI4KB 1185/4885HDAC3 687/4885

“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.