SCHEMBL5524743

SCHEMBL5524743

CC[C@H](OC(N)=O)C(=O)c1nc2cccnc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
DAGLA Q9Y4D2 1/20 0.43
SGMS2 Q8NHU3 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.36
ADRB2 P07550 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5524747 1.00 FAAH (0.46) FAAHDAGLASGMS2ALDH1A1KDM4E
SCHEMBL3955590 0.81 XDH (0.46) FAAHDAGLAKDM4ESMN1; SMN2TP53
SCHEMBL3959052 0.81 XDH (0.46) FAAHDAGLAKDM4ESMN1; SMN2TP53
SCHEMBL4056240 0.78 PPARG (0.41) FAAHKDM4EHSD17B10TP53ELANE
SCHEMBL5520456 0.78 PPARG (0.41) FAAHKDM4EHSD17B10TP53ELANE
SCHEMBL5523280 0.74 XDH (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4048932 0.74 XDH (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4048197 0.73 DAGLA (0.43) DAGLATP53
SCHEMBL5517471 0.73 MAPT (0.42) ALDH1A1KDM4ETP53NPC1RAB9A
SCHEMBL4051005 0.73 MAPT (0.42) ALDH1A1KDM4ETP53NPC1RAB9A

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
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 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 (1 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF FAAH 519/4885DAGLA 2256/4885SGMS2 277/4885

“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.