SCHEMBL4797902

SCHEMBL4797902

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.41
PARP10 Q53GL7 9/20 0.41
PARP14 Q460N5 5/20 0.41
PARP15 Q460N3 5/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRK2 P25098 1/20 0.37
GRK5 P34947 1/20 0.37
GRK3 P35626 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
F3 P13726 2/20 0.35
POLB P06746 1/20 0.34
HTR7 P34969 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
SCHEMBL4798239 0.84 CA2 (0.42) MEN1KMT2AGRK2
SCHEMBL4800097 0.78 CTSK (0.42) MEN1KMT2A
SCHEMBL4799004 0.77 TGM2 (0.38)
SCHEMBL4797909 0.76 PARP1 (0.41) PARP1PARP10PARP14PARP15MEN1
SCHEMBL4798680 0.75 CTSS (0.48) POLB
SCHEMBL6687217 0.74 PARP1 (0.42) PARP1PARP10PARP14PARP15MEN1
SCHEMBL8689328 0.73 MEN1 (0.51) PARP1PARP10PARP14PARP15MEN1
SCHEMBL4798555 0.68 CTSL (0.44) PARP1PARP10MEN1KMT2A
SCHEMBL689917 0.68 PARP1 (0.58) PARP1PARP10PARP14PARP15MEN1
SCHEMBL4798549 0.67 F3 (0.39) PARP1PARP10PARP14PARP15MEN1

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 2040/4885PARP14 2848/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PARP1 3929/4885PARP10 2040/4885PARP14 2848/4885

“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.