SCHEMBL4183675

SCHEMBL4183675

CNS(=O)(=O)c1ccc(C(F)(F)F)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MCL1 Q07820 7/20 0.41
MAPT P10636 1/20 0.39
NR3C2 P08235 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KIF11 P52732 2/20 0.38
TNNI3K Q59H18 1/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL13407614 0.80 MCL1 (0.51) ALOX5APFEN1ALDH1A1MCL1LMNA
SCHEMBL17367685 0.78 LMNA (0.59) ALOX5APFEN1ALDH1A1MCL1LMNA
SCHEMBL3775182 0.77 KIF11 (0.46) ALOX5APFEN1MAPTCA1CA2
SCHEMBL30994933 0.77 ALOX5AP (0.46) ALOX5APFEN1ALDH1A1MCL1MAPT
SCHEMBL15915645 0.77 ALOX5AP (0.46) ALOX5APFEN1ALDH1A1MCL1MAPT
SCHEMBL13211042 0.75 NFKBIA (0.56) ALDH1A1MAPTMMP2LMNA
SCHEMBL4184746 0.74 CA12 (0.50) MCL1CA1CA2LMNAL3MBTL1
SCHEMBL15924859 0.72 ALOX5AP (0.57) ALOX5APFEN1MCL1NR3C2CA1
SCHEMBL17026986 0.71 MEN1 (0.43) ALOX5APFEN1KIF11
SCHEMBL27585872 0.71 CA1 (0.47) ALDH1A1MAPTCA1CA2KIF11

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
CN-1699383-A Novel aryl fructose-1,6-bisphosphatase inhibitors METABASIS THERAPEUTICS INC (US) 2005-11-23 CN 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
CN-1516705-A Novel arylfructose-1, 6-bisphosphatase inhibitors ֢�����ƹ�˾ 2004-07-28 CN 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
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

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 ALOX5AP 4514/4885FEN1 474/4885ALDH1A1 2627/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 ALOX5AP 4514/4885FEN1 474/4885ALDH1A1 2627/4885
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 ALOX5AP 2127/4885FEN1 787/4885ALDH1A1 228/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 ALOX5AP 1916/4885FEN1 1220/4885ALDH1A1 341/4885

“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.