SCHEMBL3020738

SCHEMBL3020738

COc1ccc(NC[C@H](NC(=O)[CH]CC2CCCC2)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
CTSS P25774 11/20 0.42
GFER P55789 1/20 0.42
CTSL P07711 9/20 0.42
CTSK P43235 7/20 0.42
KLK7 P49862 2/20 0.40
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.39
MEF2D Q14814 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
SCHEMBL4801077 0.99 EPHX2 (0.47) EPHX2CTSSGFERCTSLCTSK
SCHEMBL3014755 0.99 EPHX2 (0.47) EPHX2CTSSGFERCTSLCTSK
SCHEMBL4797850 0.87 MME (0.36) CTSSCTSLCTSK
SCHEMBL4796236 0.86 MAPT (0.45) CTSSCTSLCTSKPOLB
SCHEMBL4798052 0.86 CTSS (0.38) CTSSCTSLCTSKKLK7POLB
SCHEMBL4800843 0.85 CTSS (0.51) CTSSCTSLCTSKPOLB
SCHEMBL4799975 0.84 CTSL (0.43) CTSSCTSLCTSK
SCHEMBL4796923 0.83 PDK1 (0.38) CTSSCTSLCTSK
SCHEMBL4800038 0.83 EPHX2 (0.35) EPHX2CTSSCTSLCTSKPOLB
SCHEMBL4798543 0.83 METAP2 (0.36) EPHX2CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US claimed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US claimed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885CTSS 1/4885GFER 3867/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885CTSS 1/4885GFER 3867/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ EPHX2 2128/4885CTSS 1/4885GFER 3867/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV EPHX2 2952/4885CTSS 1/4885GFER 2743/4885

“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.