SCHEMBL4796545

SCHEMBL4796545

C[C@@H](CNc1cc(C(N)=O)no1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMB5 P28074 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
ALDH1A1 P00352 2/20 0.33
RET P07949 1/20 0.33
BMP1 P13497 2/20 0.32
KLK7 P49862 1/20 0.31
F2RL1 P55085 2/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CD38 P28907 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL3023322 0.85 PSMB8 (0.37) PSMB8PSMB9PSMB5NPC1RAB9A
SCHEMBL4798021 0.82 CD38 (0.31) CD38CTSLCTSSCTSK
SCHEMBL6690789 0.77 NPC1 (0.34) PSMB8PSMB9PSMB5NPC1RAB9A
SCHEMBL4795913 0.72 CTSS (0.38) SMN1; SMN2ALDH1A1CTSLCTSSCTSK
SCHEMBL6705838 0.72 CTSS (0.43) NPC1RAB9ASMN1; SMN2KLK7CTSL
SCHEMBL6704683 0.71 RAB9A (0.36) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL4796551 0.71 F2RL1 (0.42) SMN1; SMN2ALDH1A1F2RL1CTSLCTSS
SCHEMBL4796595 0.70 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL3023325 0.65 ALDH1A1 (0.49) SMN1; SMN2S1PR3ALDH1A1KLK7CTSL
SCHEMBL4799139 0.65 EPHX1 (0.36) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PSMB8 941/4885PSMB9 1021/4885PSMB5 502/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PSMB8 941/4885PSMB9 1021/4885PSMB5 502/4885

“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.