SCHEMBL3613201

SCHEMBL3613201

CC(=NS(=O)(=O)c1ccccc1)NN(CCCC(=O)c1nc2ccccc2o1)C(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
DAGLA Q9Y4D2 3/20 0.36
CES1 P23141 2/20 0.36
XDH P47989 5/20 0.34
NLRP3 Q96P20 2/20 0.33
CTSS P25774 9/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL3622455 0.88 FAAH (0.35) FAAHDAGLACES1CTSS
SCHEMBL3625370 0.87
SCHEMBL3623915 0.86 ALDH1A1 (0.33) CES1
SCHEMBL6063780 0.78 FAAH (0.41) FAAHDAGLACES1XDHCYP3A4
SCHEMBL3613204 0.78 FAAH (0.35) FAAHDAGLACES1XDHCTSS
SCHEMBL3620433 0.77 FAAH (0.40) FAAHDAGLACES1XDHNLRP3
SCHEMBL3611913 0.76 DAGLA (0.41) FAAHDAGLACES1XDHNLRP3
SCHEMBL3613199 0.75 CTSS (0.44) CTSSCYP3A4CYP2C9
SCHEMBL6699229 0.72 CTSS (0.45) CTSSCYP3A4CYP2C9
SCHEMBL6630032 0.72 DAGLA (0.40) FAAHDAGLACES1XDHCTSS

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 2 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-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 (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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 341/4885DAGLA 1536/4885CES1 156/4885

“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.