SCHEMBL5525515

SCHEMBL5525515

N#CCNC(=O)C(CC1CCCCC1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 2/20 0.58
DPP8 Q6V1X1 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
KEAP1 Q14145 1/20 0.46
DPP4 P27487 3/20 0.45
DPP7 Q9UHL4 2/20 0.45
ACE P12821 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOTUM Q6P988 1/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43

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
SCHEMBL5520623 0.85 DPP8 (0.60) DPP8MEN1KMT2AALDH1A1MAPT
SCHEMBL5523722 0.84 CTSL (0.51) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5524295 0.81 NPSR1 (0.50) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5526005 0.76 CTSS (0.52) CTSLCTSBCTSSCTSK
SCHEMBL5526343 0.75 CTSK (0.60) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5520634 0.75 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5526359 0.75 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5530376 0.74 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL5528697 0.73 CTSK (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7353941 0.73 DPP8 (0.63) DPP8MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSL 11/4885CTSB 2/4885CTSS 1/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSL 19/4885CTSB 7/4885CTSS 2/4885

“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.