SCHEMBL3620433

SCHEMBL3620433

CC(=NS(=O)(=O)c1ccccc1)NN(CCCC(=O)c1nc2ccccc2o1)C(=O)CCC1(C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CES1 P23141 2/20 0.40
DAGLA Q9Y4D2 2/20 0.40
XDH P47989 6/20 0.38
NLRP3 Q96P20 2/20 0.37
CTSS P25774 10/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3611913 0.81 DAGLA (0.41) FAAHCES1DAGLAXDHNLRP3
SCHEMBL3613201 0.77 FAAH (0.36) FAAHCES1DAGLAXDHNLRP3
SCHEMBL3620435 0.74 FAAH (0.39) FAAHCES1DAGLACTSSCYP3A4
SCHEMBL3623532 0.73 CTSS (0.41) FAAHCES1DAGLACTSSCYP3A4
SCHEMBL3623528 0.71 CTSS (0.41) FAAHCES1DAGLACTSSCYP3A4
SCHEMBL3622455 0.65 FAAH (0.35) FAAHCES1DAGLACTSS
SCHEMBL3611917 0.64 FAAH (0.38) FAAHCES1DAGLACTSSCYP3A4
SCHEMBL3962620 0.61 FAAH (0.85) FAAHCES1DAGLA
SCHEMBL4051507 0.60 DAGLA (0.67) FAAHCES1DAGLAXDH
SCHEMBL5672032 0.60 DAGLA (0.67) FAAHCES1DAGLAXDH

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 4 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
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 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 (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 341/4885CES1 156/4885DAGLA 1536/4885

“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.