SCHEMBL5522927

SCHEMBL5522927

COc1ccccc1CNC(=O)C(CC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CTSL P07711 2/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
F2RL1 P55085 1/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL5523092 0.87 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL5520634 0.83 CTSK (0.60) CTSLCTSBCTSSCTSKHPGD
SCHEMBL5518458 0.83 CTSS (0.53) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL5523069 0.83 CTSS (0.63) CTSLCTSBCTSSCTSKHPGD
SCHEMBL5520633 0.81 CPB2 (0.55) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL5526359 0.79 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5526343 0.79 CTSK (0.60) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL5528697 0.77 CTSK (0.57) CTSLCTSBCTSSCTSKTSHR
SCHEMBL5524207 0.77 KMT2A (0.50) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL5520550 0.76 CTSS (0.72) CTSLCTSBCTSSCTSKF2RL1

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 MEN1 4485/4885KMT2A 4623/4885CTSL 11/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV MEN1 3967/4885KMT2A 4281/4885CTSL 19/4885

“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.