SCHEMBL8309719

SCHEMBL8309719

CC(C)C(C(=O)NC(CCC(N)=O)C(=O)CF)n1cccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.46
▸ CASP3 P42574 9/20 0.45
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ CTRC Q99895 1/20 0.41

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
SCHEMBL8313056 0.86 ELANE (0.46) ELANECASP1CTRC
SCHEMBL8312981 0.79 ELANE (0.55) ELANECASP3CTRC
SCHEMBL13914028 0.75 CTSK (0.63) —
SCHEMBL23835788 0.74 NPC1 (0.58) ELANECASP3CTRC
SCHEMBL952097 0.72 NPC1 (0.55) ELANECASP3CASP1CTRC
SCHEMBL487515 0.72 CASP1 (0.48) CASP3CASP1CASP7CASP9CASP6
SCHEMBL487514 0.72 CASP1 (0.48) CASP3CASP1CASP7CASP9CASP6
SCHEMBL14664262 0.72 CASP1 (0.48) CASP3CASP1CASP7CASP9CASP6
SCHEMBL1039441 0.72 NPC1 (0.54) ELANECASP3CASP1CTRC
SCHEMBL1039440 0.72 NPC1 (0.54) ELANECASP3CASP1CTRC

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 242/4885CASP3 200/4885CASP1 157/4885

“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.

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