SCHEMBL1909398

SCHEMBL1909398

CCC(=O)Nc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
CYP3A4 P08684 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51

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
SCHEMBL13989319 0.89 GAA (0.73) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL6689470 0.84 TP53 (0.72) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL7094502 0.82 MAPT (0.62) MAPTALDH1A1CA1CA2KDM4E
SCHEMBL5539856 0.81 GAA (0.63) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL10852762 0.81 POLB (0.47) CA12CA1CA2CA9MEN1
SCHEMBL14584390 0.81 RAB9A (0.72) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL13002983 0.81 GAA (0.63) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL16569266 0.81 POLB (0.47) CA12CA1CA2CA9MEN1
Parapropamol SCHEMBL1064972 0.81 MAPT (0.63) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL2625088 0.81 POLB (0.76) GAAMAPTATMSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880253-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF Noria Therapeutics, Inc. (US) 2021-09-22 EP disclosed
CN-108147972-B Preparation method of vipatavir intermediate and analogue thereof 成都西岭源药业有限公司 2020-07-10 CN disclosed
WO-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 WO disclosed
WO-2014082379-A9 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF FIELD OF THE INVENTION SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-02-25 WO disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
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
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP 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
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed
EP-1607401-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors Metabasis Therapeutics, Inc. (US) 2005-12-21 EP disclosed
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors BOOKSER BRETT C (US) 2005-08-11 US disclosed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 EP disclosed
WO-2003099798-A1 MORPHOLINYLMETHYLUREAS CCR-3 RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2003-12-04 WO 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
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP disclosed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US 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
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 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 (5 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 GAA 75/4885MAPT 4039/4885ATM 1279/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 GAA 75/4885MAPT 4039/4885ATM 1279/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885MAPT 4619/4885ATM 4652/4885
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 GAA 166/4885MAPT 3420/4885ATM 3961/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 GAA 125/4885MAPT 3244/4885ATM 3674/4885

“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.