SCHEMBL4796551

SCHEMBL4796551

Cc1cc(NC[C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)on1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 9/20 0.38
CTSS P25774 9/20 0.38
CTSK P43235 7/20 0.38
VHL P40337 1/20 0.38
CTSC P53634 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL3023325 0.86 ALDH1A1 (0.49) AAK1ALDH1A1SMN1; SMN2CTSLCTSS
SCHEMBL4798028 0.80 CTSL (0.38) AAK1SMN1; SMN2CTSLCTSSCTSK
SCHEMBL4799148 0.76 CTSS (0.44) AAK1CTSLCTSSCTSKMETAP2
SCHEMBL4801927 0.76 CTSS (0.41) CTSLCTSSCTSKCTSCMETAP2
SCHEMBL4798550 0.75 AAK1 (0.42) AAK1CTSLCTSSCTSKMETAP2
SCHEMBL4800048 0.75 CTSD (0.42) AAK1ALDH1A1CTSLCTSSCTSK
SCHEMBL4797862 0.75 CTSS (0.48) AAK1CTSLCTSSCTSKMETAP2
SCHEMBL4798054 0.74 CTSS (0.51) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL4798738 0.74 CTSD (0.46) ALDH1A1SMN1; SMN2CTSLCTSSCTSK
SCHEMBL4796328 0.73 CTSL (0.40) 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 F2RL1 89/4885AAK1 2822/4885ALDH1A1 3512/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ F2RL1 89/4885AAK1 2822/4885ALDH1A1 3512/4885

“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.