SCHEMBL6809794

SCHEMBL6809794

CCC(C)C(NC(=O)C(CS)NC(=O)C(N)CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.56
▸ FNTA P49354 10/20 0.54
▸ FNTB P49356 10/20 0.54
▸ PGGT1B P53609 6/20 0.53

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
SCHEMBL6809801 1.00 BACE1 (0.56) BACE1FNTAFNTBPGGT1B
SCHEMBL7074828 0.97 FNTA (0.58) BACE1FNTAFNTBPGGT1B
SCHEMBL7074831 0.97 FNTA (0.58) BACE1FNTAFNTBPGGT1B
SCHEMBL6810443 0.93 FNTA (0.63) BACE1FNTAFNTBPGGT1B
SCHEMBL6810437 0.93 FNTA (0.63) BACE1FNTAFNTBPGGT1B
SCHEMBL6814564 0.92 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL6814551 0.92 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL7069273 0.90 FNTA (0.64) BACE1FNTAFNTBPGGT1B
SCHEMBL30239142 0.86 BACE1 (0.58) BACE1FNTAFNTB
SCHEMBL30117298 0.84 BACE1 (0.64) BACE1

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-20040018983-A1 Antifungal compositions ACHILLION PHARMACEUTICALS, INC. 2004-01-29 — — US claimed
WO-2003055448-A2 ANTIFUNGAL COMPOSITIONS ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-10 — — WO claimed
US-20040018983-A1 Antifungal compositions ACHILLION PHARMACEUTICALS, INC. 2004-01-29 — — 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-20040018983-A1 Antifungal compositions CNBP, ERG28, AEBP2 BACE1 2535/4885FNTA 1193/4885FNTB 527/4885

“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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