SCHEMBL5520892

SCHEMBL5520892

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLKB1 P03952 1/20 0.40
KDM4E B2RXH2 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL5528540 0.89 EPHX1 (0.58) EPHX1L3MBTL1GAAALDH1A1POLB
SCHEMBL5518446 0.88 POLB (0.50) EPHX1CTSKCTSLCTSSCTSB
SCHEMBL5520634 0.86 CTSK (0.60) EPHX1CTSKCTSLCTSSCTSB
SCHEMBL5520633 0.83 CPB2 (0.55) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL5522902 0.83 CTSL (0.51) EPHX1CTSKCTSLCTSSCTSB
SCHEMBL5526359 0.79 CTSK (0.60) CTSKCTSLCTSSCTSBMETAP2
SCHEMBL5525396 0.77 CTSL (0.50) CTSKCTSLCTSSCTSBGAA
SCHEMBL5530376 0.75 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL5524103 0.75 POLB (0.54) EPHX1CTSSALDH1A1POLBCYP2C19
SCHEMBL5518458 0.75 CTSS (0.53) CTSKCTSLCTSSCTSBDPP4

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 EPHX1 2078/4885CTSK 8/4885CTSL 11/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV EPHX1 4489/4885CTSK 14/4885CTSL 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.