SCHEMBL4137648

SCHEMBL4137648

O=C(CP(=O)(O)O)Nc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
PKM P14618 2/20 0.58
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
CYP1A2 P05177 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.55
FDPS P14324 2/20 0.54
KMT2A Q03164 3/20 0.54

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
SCHEMBL6245092 0.82 GAA (1.00) GAANPC1RAB9APKMHDAC3
SCHEMBL12446562 0.79 GAA (0.58) GAANPC1RAB9APKMHDAC3
SCHEMBL4491035 0.79 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL7006640 0.79 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL8285860 0.77 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL22281652 0.77 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL1185012 0.77 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL12426307 0.77 GAA (0.82) GAANPC1RAB9APKMHDAC3
SCHEMBL1430541 0.77 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL318557 0.77 GAA (0.76) GAANPC1RAB9APKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-23 US claimed
US-9504728-B2 Dosage form NEUROVIVE PHARMACEUTICAL AB (SE) 2016-11-29 US disclosed
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
EP-2691413-B1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2014-12-24 EP disclosed
US-20140234414-A1 Novel Dosage Form Abliva Ab (SE) 2014-08-21 US disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
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-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 GAA 169/4885NPC1 1974/4885RAB9A 3842/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 GAA 163/4885NPC1 1907/4885RAB9A 3647/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 GAA 333/4885NPC1 1604/4885RAB9A 1895/4885
US-20140234414-A1 Novel Dosage Form SI, RAB10, SAMM50 GAA 835/4885NPC1 2190/4885RAB9A 142/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 GAA 246/4885NPC1 2241/4885RAB9A 1770/4885
US-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor PTGER2, PTGER1, PTGDR2 GAA 4818/4885NPC1 1301/4885RAB9A 2665/4885
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 GAA 1603/4885NPC1 484/4885RAB9A 3175/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 GAA 74/4885NPC1 2827/4885RAB9A 4022/4885

“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.