SCHEMBL4798028

SCHEMBL4798028

Cc1cc(NC[C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)sn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.38
CTSS P25774 13/20 0.38
CTSK P43235 9/20 0.38
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
CTSC P53634 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL4796551 0.80 F2RL1 (0.42) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL3023325 0.79 ALDH1A1 (0.49) CTSLCTSSCTSKAAK1SMN1; SMN2
SCHEMBL4799148 0.76 CTSS (0.44) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4801927 0.76 CTSS (0.41) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4800048 0.75 CTSD (0.42) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4798550 0.75 AAK1 (0.42) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4797862 0.75 CTSS (0.48) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4798054 0.74 CTSS (0.51) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4796328 0.73 CTSL (0.40) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4801319 0.73 EPHX2 (0.49) CTSLCTSSCTSKMETAP2METAP1

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.