SCHEMBL10285228

SCHEMBL10285228

CC(C)[C@H]1SC(NCC2CCOCC2)=NC1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.33
PDE5A O76074 1/20 0.33
BCAT2 O15382 1/20 0.32
RORC P51449 1/20 0.32
TTK P33981 1/20 0.32
PIK3CD O00329 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
P2RX3 P56373 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SCN5A Q14524 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13105882 1.00 KCNH3 (0.33) KCNH3PDE5ABCAT2RORCTTK
SCHEMBL1605671 0.79 ALDH1A1 (0.43) KCNH3ALDH1A1
SCHEMBL10248810 0.79 ALDH1A1 (0.43) KCNH3ALDH1A1
SCHEMBL1384951 0.75 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL1605375 0.73 HSD11B1 (0.38) PDE5A
SCHEMBL14429764 0.73 HSD11B1 (0.38) PDE5A
SCHEMBL1605367 0.73 HSD11B1 (0.38) PDE5A
SCHEMBL1605372 0.73 HSD11B1 (0.38) PDE5A
SCHEMBL1605313 0.72 KDM4E (0.37) KCNH3PDE5AALDH1A1
SCHEMBL14429368 0.71 KCNH3 (0.32) KCNH3PDE5APIK3CDPI4KAPIK3CG

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-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 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-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 KCNH3 3263/4885PDE5A 626/4885BCAT2 1850/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 KCNH3 4305/4885PDE5A 853/4885BCAT2 1533/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 KCNH3 3263/4885PDE5A 626/4885BCAT2 1850/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 KCNH3 3684/4885PDE5A 546/4885BCAT2 1698/4885

“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.