SCHEMBL1300495

SCHEMBL1300495

C[C@@H](C(=O)NC1CC=CCC2CCC(C(=O)OCc3ccccc3)N2C1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 10/20 0.41
▸ CASP1 P29466 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ CASP8 Q14790 2/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ FKBP1A P62942 3/20 0.38
▸ BIRC2 Q13490 2/20 0.37
▸ BIRC8 Q96P09 1/20 0.36

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
SCHEMBL1300491 1.00 XIAP (0.41) XIAPCASP1CASP3CASP8CTSL
SCHEMBL1300499 1.00 XIAP (0.41) XIAPCASP1CASP3CASP8CTSL
SCHEMBL1300496 1.00 XIAP (0.41) XIAPCASP1CASP3CASP8CTSL
SCHEMBL12109045 0.91 CTSK (0.39) XIAPCTSLCTSBCTSSCTSK
SCHEMBL31384828 0.88 XIAP (0.43) XIAPCASP1CTSLCTSBCTSS
SCHEMBL12125844 0.88 XIAP (0.57) XIAPBIRC2BIRC8
SCHEMBL31384842 0.87 XIAP (0.40) XIAPCASP1CTSLCTSBCTSS
SCHEMBL31384893 0.86 XIAP (0.39) XIAPCASP1CTSLCTSBCTSS
SCHEMBL1299626 0.85 CASP1 (0.47) XIAPCASP1CASP3CASP8CTSL
SCHEMBL1299624 0.85 CASP1 (0.47) XIAPCASP1CASP3CASP8CTSL

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-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP XIAP 1017/4885CASP1 4516/4885CASP3 4773/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP XIAP 1017/4885CASP1 4516/4885CASP3 4773/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP XIAP 1017/4885CASP1 4516/4885CASP3 4773/4885

“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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