SCHEMBL29449496

SCHEMBL29449496

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@H](C(=O)NC(CC(=O)OC)C(=O)CF)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.52
CASP3 P42574 5/20 0.51
CASP1 P29466 3/20 0.51
CASP9 P55211 3/20 0.51
CASP4 P49662 2/20 0.51
CASP5 P51878 2/20 0.51
CASP6 P55212 2/20 0.51
CASP8 Q14790 2/20 0.51
CASP10 Q92851 2/20 0.51
CTSB P07858 7/20 0.49
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 6/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
PSMB5 P28074 1/20 0.45
CASP7 P55210 2/20 0.43

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
SCHEMBL28714127 1.00 REN (0.52) RENCASP3CASP1CASP9CASP4
SCHEMBL17814784 1.00 REN (0.52) RENCASP3CASP1CASP9CASP4
SCHEMBL20257265 0.94 CASP3 (0.57) RENCASP3CASP1CASP9CASP4
SCHEMBL21481085 0.94 CASP3 (0.57) RENCASP3CASP1CASP9CASP4
SCHEMBL29612356 0.94 CASP3 (0.57) RENCASP3CASP1CASP9CASP4
SCHEMBL23133287 0.94 CASP3 (0.57) RENCASP3CASP1CASP9CASP4
SCHEMBL23133285 0.94 CASP3 (0.57) RENCASP3CASP1CASP9CASP4
SCHEMBL23613622 0.90 CASP3 (0.56) RENCASP3CASP1CASP9CASP4
SCHEMBL23133260 0.89 REN (0.51) RENCTSBCTSLCTSSCTSK
SCHEMBL29946166 0.89 REN (0.51) RENCTSBCTSLCTSSCTSK

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-20240100055-A1 METHODS OF TREATING HEMATOLOGIC CANCERS BIOCRYST PHARMACEUTICALS, INC. 2024-03-28 US disclosed
US-20220040188-A1 METHODS OF TREATING HEMATOLOGIC CANCERS BIOCRYST PHARMACEUTICALS, INC. 2022-02-10 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 (2 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-20240100055-A1 METHODS OF TREATING HEMATOLOGIC CANCERS PNP, TYMP, NTPCR REN 2807/4885CASP3 1014/4885CASP1 1903/4885
US-20220040188-A1 METHODS OF TREATING HEMATOLOGIC CANCERS PNP, TYMP, NTPCR REN 2807/4885CASP3 1014/4885CASP1 1903/4885

“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.