SCHEMBL5523159

SCHEMBL5523159

NC(CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.56
FAAH O00519 2/20 0.56
CES1 P23141 1/20 0.56
XDH P47989 4/20 0.50
ELANE P08246 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5955202 0.84 FAAH (0.48) DAGLAFAAHCES1XDHELANE
SCHEMBL7394467 0.84 FAAH (0.48) DAGLAFAAHCES1XDHELANE
SCHEMBL6466904 0.81 DAGLA (0.50) DAGLAFAAHCES1XDHELANE
SCHEMBL5420243 0.81 ELANE (0.48) DAGLAFAAHCES1XDHELANE
SCHEMBL14973780 0.81 ELANE (0.48) DAGLAFAAHCES1XDHELANE
Hydrochloric Acid SCHEMBL5421089 0.80 ELANE (0.47) DAGLAFAAHCES1XDHELANE
SCHEMBL14378300 0.79 DAGLA (0.54) DAGLAFAAHCES1XDHKDM4E
SCHEMBL6466589 0.78 DAGLA (0.56) DAGLAFAAHCES1XDHNPC1
SCHEMBL6466909 0.78 DAGLA (0.56) DAGLAFAAHCES1XDHNPC1
SCHEMBL6465885 0.78 XDH (0.47) DAGLAFAAHCES1XDHELANE

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 DAGLA 1772/4885FAAH 602/4885CES1 154/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV DAGLA 3145/4885FAAH 3742/4885CES1 2931/4885

“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.