SCHEMBL4179556

SCHEMBL4179556

COc1cc(I)c(OC)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4159527 0.88 GAA (0.41) GAANPC1TAAR1NPSR1HTR1A
SCHEMBL22595830 0.86 HTR2A (0.44) GAANPC1TAAR1NPSR1HTR1A
SCHEMBL6743305 0.86 NPC1 (0.56) GAANPC1TAAR1NPSR1ALDH1A1
SCHEMBL30467661 0.85 HTR2A (0.41) GAANPC1TAAR1NPSR1HTR1A
SCHEMBL16093610 0.85 HTR2A (0.41) GAANPC1TAAR1NPSR1HTR1A
Chloroneb SCHEMBL22739 0.84 GAA (0.64) GAANPC1TAAR1NPSR1HTR2A
SCHEMBL481337 0.84 HTR2A (0.54) NPSR1HTR1AHTR2AHTR2CHTR2B
SCHEMBL25301013 0.82 GAA (0.47) GAANPC1TAAR1NPSR1ALDH1A1
SCHEMBL4856785 0.82 LMNA (0.44) GAANPC1TAAR1NPSR1HTR1A
SCHEMBL6718195 0.80 NPC1 (0.45) GAANPC1TAAR1NPSR1ALDH1A1

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 14 patents. 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-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-7371739-B2 Aryl fructose-1,6-bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. (US) 2008-05-13 US disclosed
EP-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP disclosed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 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
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 (4 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 75/4885NPC1 3375/4885TAAR1 4642/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 GAA 75/4885NPC1 3375/4885TAAR1 4642/4885
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 GAA 166/4885NPC1 793/4885TAAR1 2045/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 GAA 125/4885NPC1 992/4885TAAR1 2400/4885

“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.