SCHEMBL5525396

SCHEMBL5525396

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
SCD O00767 1/20 0.44

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
SCHEMBL5521787 0.89 PKM (0.53) PKMKMT2ACYP3A4GAAALDH1A1
SCHEMBL5520634 0.88 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5522902 0.87 CTSL (0.51) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL5520618 0.85 FPR2 (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL5528697 0.79 CTSK (0.57) CTSLCTSBCTSSCTSKTSHR
SCHEMBL5526359 0.79 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5520633 0.79 CPB2 (0.55) CTSLKMT2ACTSBCTSSCTSK
SCHEMBL5518446 0.78 POLB (0.50) CTSLKMT2ACTSBCTSSCTSK
SCHEMBL5520607 0.78 CTSK (0.55) CTSLKMT2ACTSBCTSSCTSK
SCHEMBL5520892 0.77 EPHX1 (0.52) CTSLCTSBCTSSCTSKGAA

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 CTSL 11/4885PKM 4622/4885KMT2A 4623/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSL 19/4885PKM 4413/4885KMT2A 4281/4885

“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.