SCHEMBL30157099

SCHEMBL30157099

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 3/20 0.60
▸ ELANE P08246 9/20 0.44
▸ CAPN1 P07384 4/20 0.43
▸ CTSB P07858 1/20 0.43
▸ MLX Q9UH92 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ CALCRL Q16602 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
SCHEMBL29497357 0.92 XIAP (0.71) XIAPELANEMLXPOLB
SCHEMBL13697495 0.92 XIAP (0.71) XIAPELANEMLXPOLB
SCHEMBL13379994 0.83 XIAP (0.49) XIAPELANEMLX
SCHEMBL23260256 0.82 XIAP (0.55) XIAP
SCHEMBL31202557 0.82 XIAP (0.55) XIAP
SCHEMBL31202564 0.82 XIAP (0.55) XIAP
SCHEMBL29615598 0.82 XIAP (0.55) XIAP
SCHEMBL13380009 0.82 XIAP (0.47) XIAPELANEMLX
SCHEMBL13393694 0.82 XIAP (0.51) XIAPELANEMLXPOLB
SCHEMBL13380001 0.82 XIAP (0.51) XIAPELANEMLXPOLB

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-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-03-14 — — US disclosed
US-11590197-B2 Agents targeting inhibitor of apoptosis proteins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-28 — — 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-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF BIRC5, BIRC2, BIRC3 XIAP 6/4885ELANE 3280/4885CAPN1 3598/4885
US-11590197-B2 Agents targeting inhibitor of apoptosis proteins XIAP, BIRC2, BIRC5 XIAP 1/4885ELANE 1430/4885CAPN1 766/4885

“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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