SCHEMBL29477050

SCHEMBL29477050

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.44
▸ NAA50 Q9GZZ1 1/20 0.43
▸ CALCRL Q16602 3/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ CTSB P07858 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ SORT1 Q99523 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
SCHEMBL30449622 0.91 KEAP1 (0.48) CAPN1CALCRLSLC6A2STAT3KEAP1
SCHEMBL30335608 0.88 KEAP1 (0.49) CAPN1CALCRLSLC6A2STAT3KEAP1
SCHEMBL26186023 0.88 KEAP1 (0.49) CAPN1CALCRLSLC6A2STAT3KEAP1
SCHEMBL26186082 0.88 KEAP1 (0.49) CAPN1CALCRLSLC6A2STAT3KEAP1
SCHEMBL29531264 0.86 RAMP3 (0.48) CAPN1KEAP1
SCHEMBL29569659 0.86 CAPN1 (0.51) CAPN1NAA50CTSBNTSR1
SCHEMBL30799477 0.85 CALCRL (0.48) CAPN1CALCRLSLC6A2CTSB
SCHEMBL30059762 0.83 SLC6A2 (0.50) CAPN1NAA50CALCRLSLC6A2CTSB
SCHEMBL30051457 0.83 DPP4 (0.46) CAPN1NTSR2NTSR1SORT1
SCHEMBL30240004 0.82 DPP4 (0.47) CAPN1CTSBNTSR2NTSR1SORT1

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-20250018014-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-01-16 — — US disclosed
US-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-04-28 — — 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-20250018014-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE RNASE1, IRAK1, SERBP1 CAPN1 261/4885NAA50 2067/4885CALCRL 3303/4885
US-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE RNASE1, IRAK1, SERBP1 CAPN1 261/4885NAA50 2067/4885CALCRL 3303/4885

“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.

Send feedback