SCHEMBL1044701

SCHEMBL1044701

CC(C)(Oc1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PPARG P37231 7/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
HSD11B1 P28845 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 3/20 0.44
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RBP4 P02753 1/20 0.42

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
SCHEMBL28821563 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10PPARGRXRA
SCHEMBL1044044 0.84 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARGRXRA
SCHEMBL12670835 0.80 HSD11B1 (0.48) KDM4EALDH1A1HSD17B10PPARGRXRA
SCHEMBL3369745 0.80 KDM4E (0.60) KDM4EALDH1A1HSD17B10PPARGPPARA
SCHEMBL7981279 0.79 FBP1 (0.54) KDM4EALDH1A1PPARGRXRARXRB
SCHEMBL1045767 0.78 KDM4E (0.62) KDM4EALDH1A1HSD17B10PPARGRXRA
SCHEMBL6989689 0.78 HSD17B10 (0.62) KDM4EALDH1A1HSD17B10PPARGRXRA
SCHEMBL21748603 0.77 SSTR4 (0.56) KDM4EALDH1A1PPARGRXRARXRB
SCHEMBL1116813 0.77 PPARA (0.54) KDM4EALDH1A1HSD17B10PPARGMRGPRX4
SCHEMBL2778484 0.77 PPARA (0.45) KDM4EALDH1A1HSD17B10PPARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269977-B1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC (US) 2016-04-27 EP disclosed
US-9290444-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2016-03-22 US disclosed
US-20150065508-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2015-03-05 US disclosed
US-8716345-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2014-05-06 US disclosed
US-20130045978-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. 2013-02-21 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8314270-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2012-11-20 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-20110218214-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-09-08 US disclosed
US-7855308-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-12-21 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100022572-A1 NOVEL SPIRO COMPOUND AND MEDICINE COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2010-01-28 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-20090192198-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
US-20090131434-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
US-7511175-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2009-03-31 US disclosed
EP-1846363-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-24 EP disclosed
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. 2006-12-14 US disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 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 (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-20090131434-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 KDM4E 3375/4885ALDH1A1 156/4885HSD17B10 11/4885
US-20110218214-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 KDM4E 3375/4885ALDH1A1 156/4885HSD17B10 11/4885
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme HSD11B1, HSD17B1, HSD11B2 KDM4E 3375/4885ALDH1A1 156/4885HSD17B10 11/4885
US-20150065508-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 KDM4E 3410/4885ALDH1A1 177/4885HSD17B10 11/4885
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 KDM4E 4000/4885ALDH1A1 157/4885HSD17B10 14/4885
US-20090192198-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 KDM4E 3410/4885ALDH1A1 177/4885HSD17B10 11/4885
US-20100022572-A1 NOVEL SPIRO COMPOUND AND MEDICINE COMPRISING THE SAME REN, SLC5A1, SLC10A1 KDM4E 4207/4885ALDH1A1 436/4885HSD17B10 49/4885
US-20130045978-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 KDM4E 3410/4885ALDH1A1 177/4885HSD17B10 11/4885

“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.