SCHEMBL1604343

SCHEMBL1604343

CC(NC1=NC(=O)C(C)(C(C)C)S1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
PLK1 P53350 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
RPS6KB1 P23443 1/20 0.35
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1605481 1.00 IDH1 (0.38) IDH1DAPK3ROCK2CHEK2PIM1
SCHEMBL10253132 0.85
SCHEMBL1606126 0.83 NPSR1 (0.36)
SCHEMBL1605630 0.83 NPSR1 (0.36)
SCHEMBL10285019 0.80
SCHEMBL14440420 0.77 CA2 (0.34) IDH1CA2
SCHEMBL14441364 0.75 CA2 (0.32) IDH1CA2
SCHEMBL1384130 0.75 CA2 (0.36) CA2
SCHEMBL4639681 0.75 CA2 (0.36) CA2
SCHEMBL1606195 0.73

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-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP claimed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US claimed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US claimed
CN-1964956-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN (US) 2007-05-16 CN claimed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 US claimed
CN-1964956-B Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC 2013-03-27 CN disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP 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-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
CN-1964956-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN (US) 2007-05-16 CN disclosed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 US 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 (5 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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885DAPK3 3907/4885ROCK2 2359/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885DAPK3 3907/4885ROCK2 2359/4885
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885DAPK3 3907/4885ROCK2 2359/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885DAPK3 3907/4885ROCK2 2359/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 IDH1 200/4885DAPK3 3717/4885ROCK2 2091/4885

“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.