SCHEMBL4798239

SCHEMBL4798239

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.42
CA1 P00915 12/20 0.42
CA12 O43570 10/20 0.42
CA9 Q16790 10/20 0.42
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GRK2 P25098 1/20 0.37
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4799004 0.87 TGM2 (0.38) CA2CA1CA12CA9CTSL
SCHEMBL4797902 0.84 PARP1 (0.41) GRK2MEN1KMT2A
SCHEMBL6685731 0.77 CA1 (0.41) CA2CA1CA12CA9CTSL
SCHEMBL4798248 0.76 CTSL (0.46) CA2CA1CA12CA9CTSL
SCHEMBL4800097 0.75 CTSK (0.42) CTSLCTSSCTSKLMNAPKM
SCHEMBL4798680 0.73 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL4798876 0.73 ALDH1A1 (0.39) CTSLCTSSCTSKRAB9AMEN1
SCHEMBL4800960 0.71 CTSL (0.47) CA2CA1CA12CA9CTSL
SCHEMBL6689442 0.70 CTSL (0.52) CA2CA1CA12CA9CTSL
SCHEMBL4800967 0.69 CTSL (0.61) CA2CA1CA12CA9CTSL

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 CA2 321/4885CA1 317/4885CA12 535/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CA2 321/4885CA1 317/4885CA12 535/4885

“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.