SCHEMBL5529256

SCHEMBL5529256

CN(Cc1ccccc1)C(=O)C(CC1CCCCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SLC18A3 Q16572 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPY5R Q15761 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL5518465 0.85 CTSK (0.54) ATML3MBTL1KMT2AMEN1HPGD
SCHEMBL4287111 0.77 MAPK1 (0.59) ATML3MBTL1KMT2AMEN1MAPK1
SCHEMBL9076016 0.76 ATM (0.53) ATML3MBTL1KMT2AMEN1METAP2
SCHEMBL9076021 0.76 ATM (0.53) ATML3MBTL1KMT2AMEN1METAP2
SCHEMBL5523667 0.76 CTSK (0.40) ATMCTSLCTSBCTSKNPY5R
SCHEMBL5525570 0.76 PSEN1 (0.40) ATMCTSLCTSBCTSKMMP2
SCHEMBL13889647 0.76 NPC1 (0.60) L3MBTL1KMT2AMEN1MAPK1SLC18A3
SCHEMBL5520650 0.75 RAB9A (0.61) L3MBTL1KMT2AMEN1HPGDMETAP2
SCHEMBL4073987 0.75 NPC1 (0.64) L3MBTL1KMT2AMEN1MAPK1NPC1
SCHEMBL5671350 0.74 CTSL (0.48) ATMHPGDMETAP2METAP1NPC1

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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 ATM 3869/4885L3MBTL1 4113/4885KMT2A 4623/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV ATM 4449/4885L3MBTL1 2733/4885KMT2A 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.