SCHEMBL3622707

SCHEMBL3622707

CC[C@H](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
SCHEMBL5522225 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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 341/4885DAGLA 1536/4885TP53 1279/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE FAAH 213/4885DAGLA 756/4885TP53 1382/4885

“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.