SCHEMBL5520883

SCHEMBL5520883

O=C(O)C(CC1CCCCC1)C(=O)NCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
EPHX1 P07099 1/20 0.54
NAMPT P43490 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP1 P03956 2/20 0.45
FCER2 P06734 2/20 0.45
CPB2 Q96IY4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5522902 0.88 CTSL (0.51) MAPTEPHX1NAMPTALDH1A1CYP3A4
SCHEMBL5520650 0.88 RAB9A (0.61) EPHX1ALDH1A1NPC1RAB9ALMNA
SCHEMBL5521787 0.85 PKM (0.53) MAPTNAMPTALDH1A1CYP3A4GAA
SCHEMBL5520558 0.81 CPB2 (0.62) ALDH1A1CYP3A4NPC1RAB9ACPB2
SCHEMBL5528540 0.80 EPHX1 (0.58) EPHX1ALDH1A1NPC1RAB9AGAA
SCHEMBL5520634 0.76 CTSK (0.60) EPHX1NPC1RAB9AMMP1FCER2
SCHEMBL3208377 0.76 CPB2 (0.80) CYP3A4CPB2
SCHEMBL27781380 0.76 CPB2 (0.80) CYP3A4CPB2
SCHEMBL3208338 0.76 CPB2 (0.80) CYP3A4CPB2
SCHEMBL5534127 0.75 CHRNB2 (0.50) MAPTEPHX1NPC1RAB9A

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 MAPT 2065/4885EPHX1 2078/4885NAMPT 244/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV MAPT 3893/4885EPHX1 4489/4885NAMPT 475/4885

“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.