SCHEMBL8219653

SCHEMBL8219653

CNC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SCC2NC(=O)NC21)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP2 P42575 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ CASP8 Q14790 1/20 0.53
▸ FOLH1 Q04609 7/20 0.52
▸ TDP1 Q9NUW8 4/20 0.50
▸ MAFG O15525 1/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ IDE P14735 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL6534725 0.87 CASP3 (0.55) CASP3CASP1CASP2CASP7CASP8
SCHEMBL5406043 0.86 TDP1 (0.56) CASP3CASP1CASP2CASP7CASP8
SCHEMBL8525642 0.82 TDP1 (0.67) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL2037323 0.82 TDP1 (0.51) CASP3CASP1CASP2CASP7CASP8
SCHEMBL20827735 0.79 FOLH1 (0.51) CASP3CASP1CASP2CASP7CASP8
SCHEMBL7577396 0.78 TDP1 (0.64) CASP3CASP1CASP2CASP7CASP8
SCHEMBL5804890 0.77 TDP1 (0.59) FOLH1TDP1CAPN1MEN1ABL1
SCHEMBL29946177 0.76 TDP1 (0.53) CASP3CASP1CASP2CASP7CASP8
SCHEMBL29802482 0.76 TDP1 (0.53) CASP3CASP1CASP2CASP7CASP8
SCHEMBL25417015 0.76 TDP1 (0.77) FOLH1TDP1CAPN1PRSS1PRSS2

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-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 — — US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 — — 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-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 CASP3 959/4885CASP1 197/4885CASP2 719/4885

“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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