SCHEMBL29592734

SCHEMBL29592734

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.55
▸ CTSB P07858 3/20 0.52
▸ SLC6A2 P23975 1/20 0.49
▸ XIAP P98170 1/20 0.45
▸ CALCRL Q16602 2/20 0.43
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 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
SCHEMBL29630668 0.97 CAPN1 (0.51) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29591478 0.94 CAPN1 (0.50) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29590602 0.93 CAPN1 (0.51) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29630615 0.90 CALCRL (0.48) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29630466 0.90 XIAP (0.47) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29434651 0.90 CAPN1 (0.54) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29630325 0.90 XIAP (0.50) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29592210 0.90 CAPN1 (0.51) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL30185028 0.88 CAPN1 (0.47) CAPN1CTSBSLC6A2XIAPCALCRL
SCHEMBL29630498 0.87 CAPN1 (0.51) CAPN1CTSBSLC6A2XIAPOPRM1

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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited (GB) 2026-05-05 — — US disclosed
CN-116531564-A Soluble biomolecular glass and application thereof 中国科学院过程工程研究所 2023-08-04 — — CN disclosed
US-20220112547-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-04-14 — — 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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions POLM, POLR1A, POLR1E CAPN1 1736/4885CTSB 2062/4885SLC6A2 2983/4885

“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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