SCHEMBL5528697

SCHEMBL5528697

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.57
CTSL P07711 2/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
EPHX2 P34913 2/20 0.55
MMP3 P08254 12/20 0.55
MMP2 P08253 11/20 0.53
MMP1 P03956 9/20 0.53
MMP9 P14780 1/20 0.52
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
EPHX1 P07099 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5520607 0.93 CTSK (0.55) CTSKCTSLCTSBCTSSEPHX2
SCHEMBL5520634 0.88 CTSK (0.60) CTSKCTSLCTSBCTSSMMP1
SCHEMBL4715141 0.88 EPHX2 (0.63) EPHX2MMP3MMP2MMP1MMP9
SCHEMBL5526924 0.85 CTSL (0.52) CTSKCTSLCTSBCTSSMMP3
SCHEMBL5522921 0.84 CTSL (0.68) CTSKCTSLCTSBCTSSMMP3
SCHEMBL5527659 0.84 ADAM17 (0.53) CTSKCTSLCTSBCTSS
SCHEMBL5526359 0.83 CTSK (0.60) CTSKCTSLCTSBCTSS
SCHEMBL5526343 0.83 CTSK (0.60) CTSKCTSLCTSBCTSSEPHX2
SCHEMBL4715413 0.83 MMP3 (0.54) EPHX2MMP3MMP2MMP1MMP9
SCHEMBL5518465 0.81 CTSK (0.54) CTSKCTSLCTSBCTSSNPC1

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 5 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
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
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 CTSK 8/4885CTSL 11/4885CTSB 2/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSK 14/4885CTSL 19/4885CTSB 7/4885

“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.