SCHEMBL29591830

SCHEMBL29591830

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.47
▸ GRB2 P62993 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ DPP4 P27487 1/20 0.42
▸ PREP P48147 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ XIAP P98170 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ MLX Q9UH92 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ CALCRL Q16602 1/20 0.40

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
SCHEMBL29630809 0.98 CAPN1 (0.45) CAPN1GRB2SLC6A2DPP4PREP
SCHEMBL31031622 0.90 CALCRL (0.47) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29362494 0.86 GRB2 (0.46) GRB2OPRM1
SCHEMBL29630498 0.86 CAPN1 (0.51) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29630574 0.85 CAPN1 (0.49) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29576210 0.84 CAPN1 (0.55) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29655765 0.83 DPP4 (0.52) GRB2DPP4PREPDPP7XIAP
SCHEMBL30422893 0.83 CAPN1 (0.53) CAPN1GRB2SLC6A2DPP4PREP
SCHEMBL32689777 0.83 CAPN1 (0.57) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL31031467 0.82 ACE (0.44) CAPN1

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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited (GB) 2026-05-05 — — US 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 1736/4885GRB2 2639/4885SLC6A2 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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