SCHEMBL4798248

SCHEMBL4798248

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CA1 P00915 9/20 0.42
CA2 P00918 9/20 0.42
CA12 O43570 8/20 0.42
CA9 Q16790 8/20 0.42
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASR P41180 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CCR3 P51677 1/20 0.36
GRK2 P25098 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4799010 0.86 CA1 (0.42) CTSLCTSSCTSKCA1CA2
SCHEMBL4797909 0.82 PARP1 (0.41) CTSLCTSSCTSKGRK2MEN1
SCHEMBL4800967 0.81 CTSL (0.61) CTSLCTSSCTSKCA1CA2
SCHEMBL6685731 0.77 CA1 (0.41) CTSLCTSSCTSKCA1CA2
SCHEMBL6689442 0.76 CTSL (0.52) CTSLCTSSCTSKCA1CA2
SCHEMBL4798239 0.76 CA2 (0.42) CTSLCTSSCTSKCA1CA2
SCHEMBL4800105 0.74 CTSK (0.49) CTSLCTSSCTSKALDH1A1
SCHEMBL4798882 0.72 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL4798685 0.71 CTSS (0.62) CTSLCTSSCTSK
SCHEMBL4799983 0.67 CTSS (0.57) CTSLCTSSCTSKALDH1A1

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.