SCHEMBL5522225

SCHEMBL5522225

CCC(C(=O)OC(C)(C)C)[C@](N)(O)c1nc2ncccc2o1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.43
DAGLA Q9Y4D2 7/20 0.42
TP53 P04637 5/20 0.40
SHMT2 P34897 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
CES1 P23141 2/20 0.38

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
SCHEMBL3622707 1.00 FAAH (0.43) FAAHDAGLATP53SHMT2POLB
SCHEMBL5466852 0.84 RAB9A (0.40) FAAHTP53MAPTCES1
SCHEMBL5513719 0.84 RAB9A (0.40) FAAHTP53MAPTCES1
SCHEMBL7261195 0.78 FAAH (0.43) FAAHDAGLATP53
SCHEMBL3620329 0.77 FAAH (0.39) FAAHDAGLATP53POLBMAPT
SCHEMBL5415877 0.75
SCHEMBL5461922 0.74 ALDH1A1 (0.42) FAAHPOLBMAPTCES1
SCHEMBL5420085 0.74 ALDH1A1 (0.42) FAAHPOLBMAPTCES1
SCHEMBL5945966 0.74 ALDH1A1 (0.42) FAAHPOLBMAPTCES1
SCHEMBL5489548 0.73 FAAH (0.44) FAAHDAGLATP53POLBMAPT

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
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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 (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-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 856/4885DAGLA 2816/4885TP53 657/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS FAAH 1228/4885DAGLA 3515/4885TP53 614/4885

“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.