SCHEMBL3026022

SCHEMBL3026022

NC(=O)C(CNc1nc2ccccc2o1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.45
CTSL P07711 5/20 0.41
FAAH O00519 1/20 0.40
CTSK P43235 2/20 0.37
PCSK9 Q8NBP7 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3025207 0.79 NPC1 (0.51) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5390752 0.76 CTSS (0.44) CTSSCTSLFAAHNPC1RAB9A
SCHEMBL4799971 0.76 TP53 (0.42) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL6693524 0.76 TP53 (0.42) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL4799908 0.76 TAS1R3 (0.40) CTSSCTSLCTSKNPC1RAB9A
SCHEMBL4796443 0.76 KMT2A (0.39) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL3026025 0.75 CTSS (0.51) CTSSCTSLCTSKPCSK9HCRTR1
SCHEMBL4801922 0.75 EPHX1 (0.37) CTSKMEN1KMT2ATDP1
SCHEMBL4801315 0.75 EPHX2 (0.47) CTSSNPC1RAB9AMEN1ALDH1A1
SCHEMBL4797850 0.74 MME (0.36) CTSSCTSLCTSKMEN1KMT2A

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 CTSS 1/4885CTSL 11/4885FAAH 437/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885FAAH 437/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885FAAH 437/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CTSS 1/4885CTSL 11/4885FAAH 928/4885

“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.