SCHEMBL3014755

SCHEMBL3014755

COc1ccc(NCC(NC(=O)[CH]CC2CCCCC2)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
CTSS P25774 11/20 0.44
GFER P55789 1/20 0.43
CTSL P07711 9/20 0.43
CTSK P43235 7/20 0.43
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 1.00 EPHX2 (0.47) EPHX2CTSSGFERCTSLCTSK
SCHEMBL3020738 0.99 EPHX2 (0.46) EPHX2CTSSGFERCTSLCTSK
SCHEMBL4797850 0.88 MME (0.36) CTSSCTSLCTSKEPHX1
SCHEMBL4796236 0.88 MAPT (0.45) CTSSCTSLCTSKPOLBALDH1A1
SCHEMBL4798052 0.87 CTSS (0.38) CTSSCTSLCTSKPOLBNPC1
SCHEMBL4800843 0.87 CTSS (0.51) CTSSCTSLCTSKPOLBALDH1A1
SCHEMBL4799975 0.85 CTSL (0.43) CTSSCTSLCTSKEPHX1ALDH1A1
SCHEMBL4796923 0.85 PDK1 (0.38) CTSSCTSLCTSK
SCHEMBL4798543 0.85 METAP2 (0.36) EPHX2CTSSCTSLCTSKALDH1A1
SCHEMBL4800038 0.85 EPHX2 (0.35) EPHX2CTSSCTSLCTSKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
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
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 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 (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.