SCHEMBL5520607

SCHEMBL5520607

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
EPHX2 P34913 2/20 0.52
MMP3 P08254 8/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 1/20 0.51
MMP1 P03956 6/20 0.51
MMP2 P08253 6/20 0.51
CNR1 P21554 1/20 0.50
MMP8 P22894 3/20 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
SCHEMBL5528697 0.93 CTSK (0.57) CTSKCTSLCTSBCTSSEPHX2
SCHEMBL5523633 0.88 EPHX1 (0.57) EPHX2MMP3CYP2D6CYP2C9CYP2C19
SCHEMBL5520634 0.86 CTSK (0.60) CTSKCTSLCTSBCTSSEPHX1
SCHEMBL5526359 0.82 CTSK (0.60) CTSKCTSLCTSBCTSS
SCHEMBL5526343 0.81 CTSK (0.60) CTSKCTSLCTSBCTSSEPHX2
SCHEMBL5526924 0.81 CTSL (0.52) CTSKCTSLCTSBCTSSMMP3
SCHEMBL4715141 0.81 EPHX2 (0.63) EPHX2MMP3EPHX1MMP1MMP2
SCHEMBL5527659 0.80 ADAM17 (0.53) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL5518465 0.79 CTSK (0.54) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL5532273 0.79 CTSL (0.59) CTSKCTSLCTSBCTSSMMP3

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 3 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-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.