SCHEMBL30341673

SCHEMBL30341673

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.47
▸ ELANE P08246 4/20 0.43
▸ XIAP P98170 2/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ MLX Q9UH92 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ RAMP1 O60894 1/20 0.39

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
SCHEMBL31031582 0.91 XIAP (0.48) CALCRLELANEXIAPSLC6A2MLX
SCHEMBL29590865 0.85 XIAP (0.50) CALCRLXIAPKEAP1
SCHEMBL23135343 0.82 XIAP (0.53) CALCRLELANEXIAPSLC6A2
SCHEMBL23135342 0.82 XIAP (0.53) CALCRLELANEXIAPSLC6A2
SCHEMBL8627244 0.82 CALCRL (0.47) CALCRLXIAPSLC6A2KEAP1RAMP1
SCHEMBL29733288 0.81 CALCRL (0.51) CALCRLXIAPSLC6A2RAMP1
SCHEMBL29477197 0.81 XIAP (0.47) CALCRLELANEXIAPSLC6A2MLX
SCHEMBL31031596 0.80 C5AR1 (0.44) —
SCHEMBL29630819 0.80 XIAP (0.47) CALCRLXIAPSLC6A2
SCHEMBL30123263 0.79 SLC6A2 (0.52) CALCRLXIAPSLC6A2RAMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409524-A1 COMPOUND HAVING PHOTOCLEAVABLE MOIETY, CONJUGATE, AND SCREENING METHOD USING SAME CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-12-12 — — US disclosed
EP-4378944-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-06-05 — — EP disclosed
CN-117980308-A Compound having photocleavable site, joined body, and screening method using same 中外制药株式会社 2024-05-03 — — CN disclosed
WO-2023054636-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME 中外製薬株式会社 2023-04-06 — — WO 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-20240409524-A1 COMPOUND HAVING PHOTOCLEAVABLE MOIETY, CONJUGATE, AND SCREENING METHOD USING SAME ALDH1A2, FOLH1, TACR1 CALCRL 2137/4885ELANE 1912/4885XIAP 3302/4885

“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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