SCHEMBL5520623

SCHEMBL5520623

O=C(O)C(CC1CCCCC1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.60
KEAP1 Q14145 1/20 0.56
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACE P12821 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
DPP7 Q9UHL4 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL5525515 0.85 CTSL (0.58) DPP8KEAP1POLBALDH1A1MAPT
SCHEMBL7353941 0.82 DPP8 (0.63) DPP8KEAP1POLBALDH1A1MAPT
SCHEMBL5520854 0.80 NPC1 (0.53) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL5525546 0.77 NPSR1 (0.61) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL14392751 0.75 DPP8 (1.00) DPP8KEAP1POLBALDH1A1MAPT
SCHEMBL26255940 0.75 DPP8 (0.55) DPP8KEAP1POLBALDH1A1MAPT
SCHEMBL4778553 0.75 DPP8 (0.63) DPP8HDAC8DPP7DPP4DPP9
SCHEMBL4778545 0.75 DPP8 (0.63) DPP8HDAC8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL9876586 0.74 DPP8 (0.53) DPP8KEAP1POLBALDH1A1MAPT
SCHEMBL3103829 0.73 DPP8 (0.68) DPP8POLBALDH1A1MAPTKMT2A

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 DPP8 133/4885KEAP1 1957/4885POLB 2141/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV DPP8 898/4885KEAP1 1354/4885POLB 2271/4885

“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.