SCHEMBL4797909

SCHEMBL4797909

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.41
PARP10 Q53GL7 9/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
PARP14 Q460N5 4/20 0.38
PARP15 Q460N3 4/20 0.36
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36
GRK3 P35626 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL4798248 0.82 CTSL (0.46) MEN1KMT2ACTSKCTSSCTSL
SCHEMBL4798555 0.81 CTSL (0.44) PARP1PARP10MEN1KMT2ACTSK
SCHEMBL4797902 0.76 PARP1 (0.41) PARP1PARP10MEN1KMT2APOLB
SCHEMBL4800105 0.75 CTSK (0.49) CTSKCTSSCTSL
SCHEMBL8689328 0.75 MEN1 (0.51) PARP1PARP10MEN1KMT2APARP14
SCHEMBL4799010 0.74 CA1 (0.42) CTSKCTSSCTSL
SCHEMBL4798882 0.74 CTSS (0.48) CTSKCTSSCTSL
SCHEMBL4798685 0.73 CTSS (0.62) CTSKCTSSCTSL
SCHEMBL4800032 0.70 CTSL (0.43) MEN1KMT2ACTSKCTSSCTSL
SCHEMBL689917 0.69 PARP1 (0.58) PARP1PARP10MEN1KMT2APARP14

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 PARP1 3929/4885PARP10 2040/4885MEN1 3815/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PARP1 3929/4885PARP10 2040/4885MEN1 3815/4885

“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.