SCHEMBL4129461

SCHEMBL4129461

O=C(CP(=O)(O)O)Nc1nccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.58
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
THRB P10828 1/20 0.56
FDPS P14324 1/20 0.54
EPHX2 P34913 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
ALOX15 P16050 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FFAR2 O15552 1/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2837501 0.79 ACP1 (0.65) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL27791809 0.77 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL8868477 0.77 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL479906 0.77 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1358344 0.77 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL175217 0.77 ADORA2A (0.68) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3076122 0.77 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL15480444 0.77 ALDH1A1 (0.68) ACP1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8831598 0.77 ACP1 (0.48) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6374561 0.77 ACP1 (0.58) ACP1RAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100595204-C Bisaminated phosphonate prodrugs METABASIS THERAPEUTICS INC 2010-03-24 CN disclosed
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
CN-101125864-A Heteroaromatic inhibitor for fructose-1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2008-02-20 CN 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
CN-100349904-C Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-11-21 CN disclosed
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-04 US disclosed
CN-1900087-A Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-01-24 CN disclosed
CN-1704423-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2005-12-07 CN 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-6756360-B1 PHOSPHONATE, PHOSPHATE AND BISAMINO PHOSPHONATE DERIVATIVES METABASIS THERAPEUTICS, INC. 2004-06-29 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
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

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-20040058892-A1 Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase FBP1, G6PC1, HK1 ACP1 726/4885RAB9A 3842/4885NPC1 1974/4885
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 ACP1 1068/4885RAB9A 3647/4885NPC1 1907/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 ACP1 388/4885RAB9A 1895/4885NPC1 1604/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 ACP1 522/4885RAB9A 1770/4885NPC1 2241/4885
US-20040167178-A1 Combination of FBPase inhibitors and insulin sensitizers for the treatment of diabetes FBP1, G6PC1, IRS1 ACP1 1167/4885RAB9A 4022/4885NPC1 2827/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 ACP1 1068/4885RAB9A 3647/4885NPC1 1907/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 ACP1 1167/4885RAB9A 4022/4885NPC1 2827/4885

“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.