SCHEMBL8309558

SCHEMBL8309558

CCCC(C(=O)NC(CCC(N)=O)C(O)CF)n1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
CASP1 P29466 1/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL8309803 0.85 CASP1 (0.36) ELANECASP1KMT2ATP53MEN1
SCHEMBL8310082 0.74 ELANE (0.39) ELANEKMT2AMEN1
SCHEMBL8309798 0.71 L3MBTL1 (0.44) ELANEKMT2A
SCHEMBL7699724 0.67 ELANE (0.41) ELANEKMT2AMEN1
SCHEMBL15799353 0.65 GAA (0.42) ELANEKMT2AMEN1
SCHEMBL29062934 0.63 NPC1 (0.38) ELANEKMT2A
SCHEMBL14423554 0.61 L3MBTL1 (0.44) ELANEKMT2A
SCHEMBL15803985 0.61 GAA (0.45) ELANEKMT2A
SCHEMBL29062876 0.60 ALDH1A1 (0.42) ELANEKMT2A
SCHEMBL6028721 0.60 L3MBTL1 (0.43) ELANEKMT2AMEN1

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-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 ELANE 242/4885CASP1 157/4885KMT2A 4306/4885

“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.