SCHEMBL5532273

SCHEMBL5532273

CC(NC(=O)C(CC1CCCCC1)C(=O)NCC#N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
CTSS P25774 4/20 0.59
CTSK P43235 3/20 0.59
CTSB P07858 2/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
RECQL P46063 1/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
BMP1 P13497 1/20 0.45

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
SCHEMBL5526941 0.87 MEN1 (0.58) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5526359 0.83 CTSK (0.60) CTSLCTSSCTSKCTSBMETAP2
SCHEMBL5520634 0.82 CTSK (0.60) CTSLCTSSCTSKCTSBEPHX1
SCHEMBL5526343 0.82 CTSK (0.60) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5528697 0.81 CTSK (0.57) CTSLCTSSCTSKCTSBEPHX1
SCHEMBL5520607 0.79 CTSK (0.55) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL5530376 0.79 CTSK (0.58) CTSLCTSSCTSKCTSB
SCHEMBL5520695 0.78 CTSK (0.55) CTSLCTSSCTSKCTSBEPHX1
SCHEMBL5523345 0.76 NPY5R (0.60) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5522927 0.76 MEN1 (0.55) CTSLCTSSCTSKCTSBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSL 11/4885CTSS 1/4885CTSK 8/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSL 19/4885CTSS 2/4885CTSK 14/4885

“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.