SCHEMBL4796595

SCHEMBL4796595

C[C@@H](CNc1ccc(S(=O)(=O)NC(N)=O)cc1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.39
CTSS P25774 7/20 0.39
CTSK P43235 5/20 0.39
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
POLB P06746 1/20 0.38
USP30 Q70CQ3 4/20 0.37
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL6705838 0.81 CTSS (0.43) CTSLCTSSCTSKPOLB
SCHEMBL4795913 0.81 CTSS (0.38) CTSLCTSSCTSK
SCHEMBL4799975 0.79 CTSL (0.43) CTSLCTSSCTSKUSP30PLAU
SCHEMBL4802535 0.78 CA2 (0.43) POLBKMT2A
SCHEMBL4796601 0.73 CTSS (0.47) CTSLCTSSCTSKUSP30PLAU
SCHEMBL4797850 0.72 MME (0.36) CTSLCTSSCTSKMMP2KMT2A
SCHEMBL4801077 0.72 EPHX2 (0.47) CTSLCTSSCTSKPOLB
SCHEMBL3014755 0.72 EPHX2 (0.47) CTSLCTSSCTSKPOLB
SCHEMBL4798052 0.72 CTSS (0.38) CTSLCTSSCTSKPOLB
SCHEMBL4795302 0.71 LMNA (0.48) KMT2A

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.