SCHEMBL4128422

SCHEMBL4128422

Cc1c(Br)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
FBP1 P09467 11/20 0.40
GAA P10253 1/20 0.32
PTPN1 P18031 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NSD1 Q96L73 1/20 0.31

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
SCHEMBL14283764 0.88 HTT (0.46) HTTFBP1GAATLR7
SCHEMBL4133666 0.86 FBP1 (0.39) HTTFBP1PTPN1
SCHEMBL4133865 0.86 HTT (0.39) HTTFBP1GAATLR7
SCHEMBL4121084 0.85 FBP1 (0.40) HTTFBP1GAAPTPN1NSD1
SCHEMBL4135187 0.85 FBP1 (0.40) HTTFBP1GAAPTPN1TLR7
SCHEMBL4127768 0.85 HTT (0.41) HTTFBP1GAA
SCHEMBL4126139 0.85 FBP1 (0.40) HTTFBP1GAAPTPN1NSD1
SCHEMBL4133011 0.85 HTT (0.41) HTTFBP1GAATLR7
SCHEMBL4121585 0.84 HTT (0.40) HTTFBP1GAA
SCHEMBL4137656 0.81 HTT (0.38) HTTFBP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes VAN POELJE PAUL D 2009-08-06 US disclosed
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-7563774-B2 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. (US) 2009-07-21 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
EP-1112275-B1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-07-30 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US 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
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO 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 (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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 HTT 4528/4885FBP1 1/4885GAA 75/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 HTT 4548/4885FBP1 1/4885GAA 163/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 HTT 4353/4885FBP1 1/4885GAA 333/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 HTT 4528/4885FBP1 1/4885GAA 75/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 HTT 4308/4885FBP1 1/4885GAA 246/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 HTT 4548/4885FBP1 1/4885GAA 163/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 HTT 3883/4885FBP1 1/4885GAA 74/4885

“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.