SCHEMBL4800967

SCHEMBL4800967

C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.61
CTSS P25774 13/20 0.61
CTSK P43235 9/20 0.61
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
CCR3 P51677 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4799983 0.88 CTSS (0.57) CTSLCTSSCTSKALDH1A1
SCHEMBL4801319 0.85 EPHX2 (0.49) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4797750 0.85 CTSS (0.45) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4798555 0.84 CTSL (0.44) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4800895 0.84 CTSL (0.44) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL6689442 0.83 CTSL (0.52) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4796293 0.82 TSHR (0.52) CTSLCTSSCTSKKMT2A
SCHEMBL4798248 0.81 CTSL (0.46) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL4802540 0.81 CTSS (0.49) CTSLCTSSCTSKCA12CA1
SCHEMBL4800032 0.81 CTSL (0.43) CTSLCTSSCTSKMEN1KMT2A

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 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.