SCHEMBL4800895

SCHEMBL4800895

CC(=O)Nc1cccc(NC[C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.44
CTSS P25774 10/20 0.44
CTSK P43235 8/20 0.44
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4801319 0.86 EPHX2 (0.49) CTSLCTSSCTSKTSHRNPC1
SCHEMBL4797750 0.86 CTSS (0.45) CTSLCTSSCTSKNPC1METAP2
SCHEMBL4798555 0.85 CTSL (0.44) CTSLCTSSCTSKNPC1TDP1
SCHEMBL4800967 0.84 CTSL (0.61) CTSLCTSSCTSKALDH1A1METAP2
SCHEMBL4796293 0.84 TSHR (0.52) CTSLCTSSCTSKTSHRKMT2A
SCHEMBL4800032 0.83 CTSL (0.43) CTSLCTSSCTSKNPC1TDP1
SCHEMBL4796166 0.81 CTSS (0.56) CTSLCTSSCTSK
SCHEMBL4797862 0.80 CTSS (0.48) CTSLCTSSCTSKAAK1METAP2
SCHEMBL4798054 0.79 CTSS (0.51) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4799148 0.79 CTSS (0.44) CTSLCTSSCTSKAAK1METAP2

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 4 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

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 CTSL 11/4885CTSS 1/4885CTSK 9/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 9/4885

“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.