SCHEMBL4796293

SCHEMBL4796293

C[C@@H](CNc1cccc(C#N)c1)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.50
CTSL P07711 10/20 0.43
CTSS P25774 9/20 0.43
CTSK P43235 8/20 0.43
CTSB P07858 2/20 0.41
CTSC P53634 1/20 0.41
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL4796656 0.88 CTSS (0.46) KMT2ACTSLCTSSCTSKCTSB
SCHEMBL4797750 0.85 CTSS (0.45) KMT2ACTSLCTSSCTSKSMN1; SMN2
SCHEMBL4801319 0.85 EPHX2 (0.49) TSHRKMT2ACTSLCTSSCTSK
SCHEMBL4800895 0.84 CTSL (0.44) TSHRKMT2ACTSLCTSSCTSK
SCHEMBL4798555 0.84 CTSL (0.44) KMT2ACTSLCTSSCTSKSMN1; SMN2
SCHEMBL4800967 0.82 CTSL (0.61) KMT2ACTSLCTSSCTSK
SCHEMBL4800032 0.81 CTSL (0.43) KMT2ACTSLCTSSCTSKSMN1; SMN2
SCHEMBL4796166 0.80 CTSS (0.56) CTSLCTSSCTSK
SCHEMBL4797862 0.79 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL4795921 0.78 CTSS (0.47) CTSLCTSSCTSK

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 TSHR 3750/4885KMT2A 4282/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ TSHR 3750/4885KMT2A 4282/4885CTSL 11/4885

“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.