SCHEMBL4128918

SCHEMBL4128918

CCC(CC)(OCP(=O)(O)O)c1csc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL513433 0.74 TSHR (0.36) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL4134899 0.67 PKM (0.45) SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL4120827 0.67 PKM (0.42) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL4798137 0.66 FBP1 (0.32) FBP1
SCHEMBL3556536 0.63 PGK1 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL10245083 0.61 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL18074287 0.61 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL9302297 0.60 LPAR3 (0.32) FDPS
SCHEMBL77644 0.60 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5537262 0.60 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDTLR7MAPT

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 SMN1; SMN2 4361/4885ALDH1A1 739/4885HPGD 947/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 SMN1; SMN2 4562/4885ALDH1A1 640/4885HPGD 835/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 SMN1; SMN2 2797/4885ALDH1A1 852/4885HPGD 2007/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 SMN1; SMN2 3337/4885ALDH1A1 1609/4885HPGD 1759/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 SMN1; SMN2 3337/4885ALDH1A1 1609/4885HPGD 1759/4885
US-20040167178-A1 Combination of FBPase inhibitors and insulin sensitizers for the treatment of diabetes FBP1, G6PC1, IRS1 SMN1; SMN2 3218/4885ALDH1A1 3879/4885HPGD 1386/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 SMN1; SMN2 4562/4885ALDH1A1 640/4885HPGD 835/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 SMN1; SMN2 3218/4885ALDH1A1 3879/4885HPGD 1386/4885

“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.