SCHEMBL1044677

SCHEMBL1044677

CC(C)(Oc1ccccc1S(C)(=O)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
PPARA Q07869 7/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
BCAT2 O15382 1/20 0.41
CASR P41180 1/20 0.41
PPARG P37231 8/20 0.40
PPARD Q03181 4/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4467143 0.80 FBP1 (0.53) KDM4EALDH1A1HSD17B10PPARACYP1A2
SCHEMBL1045767 0.77 KDM4E (0.62) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL28821563 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL6989689 0.77 HSD17B10 (0.62) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL2646108 0.77 ALPL (0.46) ALDH1A1CASRHTR6SLC22A12
SCHEMBL4037904 0.75 KDM4E (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL3369745 0.75 KDM4E (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL1044044 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL1046455 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL2517197 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19

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 15 patents. 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-8314270-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2012-11-20 US disclosed
US-20110218214-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-09-08 US disclosed
EP-2269977-A2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2011-01-05 EP disclosed
US-7855308-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-12-21 US 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 (6 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-20090192198-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 KDM4E 3410/4885ALDH1A1 177/4885HSD17B10 11/4885
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.