SCHEMBL4129004

SCHEMBL4129004

CCC(CC)(Oc1cc(Br)cc2sc(N)nc12)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD1 Q96L73 2/20 0.47
MAPT P10636 1/20 0.36
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
PTPN2 P17706 2/20 0.31
CYP2C19 P33261 1/20 0.31
NSD2 O96028 1/20 0.30
NSD3 Q9BZ95 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL4132053 0.81 TDP1 (0.55) MAPTCYP3A4TDP1ALDH1A1LMNA
SCHEMBL4295419 0.78 PTPN2 (0.32) PTPN2
SCHEMBL4123151 0.78 NSD1 (0.51) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL3049417 0.75 NSD1 (0.54) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL4128999 0.74 NSD1 (0.44) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL21054913 0.73 NSD1 (0.58) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL11593016 0.73 NSD1 (0.51) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL4128702 0.66 NPC1 (0.42) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL21054943 0.65 NSD1 (1.00) NSD1MAPTCYP3A4TDP1HSD17B10
SCHEMBL11591003 0.65 HSD17B10 (0.68) NSD1MAPTCYP3A4TDP1HSD17B10

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 NSD1 4237/4885MAPT 4039/4885CYP3A4 1936/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 NSD1 4135/4885MAPT 2935/4885CYP3A4 758/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 NSD1 3958/4885MAPT 2026/4885CYP3A4 1052/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 NSD1 4237/4885MAPT 4039/4885CYP3A4 1936/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 NSD1 3814/4885MAPT 1651/4885CYP3A4 1082/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 NSD1 4135/4885MAPT 2935/4885CYP3A4 758/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 NSD1 3881/4885MAPT 2930/4885CYP3A4 3060/4885

“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.