SCHEMBL2746882

SCHEMBL2746882

Cn1c(-c2ccccc2Cl)nnc1-c1ccccc1S(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 1.00
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2747473 0.83 HSD11B1 (1.00) HSD11B1ALDH1A1RAB9ANPC1LMNA
SCHEMBL12645517 0.82 HSD11B1 (0.69) HSD11B1ALDH1A1RAB9AKDM4E
SCHEMBL2748146 0.76 HSD11B1 (0.82) HSD11B1ALDH1A1RAB9ANPC1LMNA
SCHEMBL18912380 0.75 HSD11B1 (0.81) HSD11B1ALDH1A1RAB9ANPC1LMNA
SCHEMBL2746814 0.74 HSD11B1 (1.00) HSD11B1ALDH1A1RAB9ANPC1LMNA
SCHEMBL8558631 0.73 HSD11B1 (0.58) HSD11B1ALDH1A1RAB9AKDM4E
SCHEMBL2747350 0.73 HSD11B1 (0.83) HSD11B1
SCHEMBL18905854 0.73 HSD11B1 (0.71) HSD11B1ALDH1A1RAB9ANPC1LMNA
SCHEMBL30843123 0.73 HSD11B1 (0.56) HSD11B1ALDH1A1RAB9AKDM4E
SCHEMBL10942013 0.72 HSD11B1 (0.76) HSD11B1ALDH1A1RAB9ANPC1LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
EP-1732904-B1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
EP-1732904-B1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US disclosed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US disclosed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
EP-1732904-A4 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-11-14 EP disclosed
EP-1732904-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-12-20 EP disclosed
WO-2005097759-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2005-10-20 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 (3 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-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885ALDH1A1 189/4885RAB9A 4629/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885ALDH1A1 320/4885RAB9A 4648/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ALDH1A1 58/4885RAB9A 2716/4885

“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.