SCHEMBL22297607

SCHEMBL22297607

CSCCC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ CTSD P07339 1/20 0.42
▸ FNTA P49354 2/20 0.42
▸ FNTB P49356 2/20 0.42

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
SCHEMBL20844304 0.87 BACE1 (0.44) BACE1BACE2CTSSCTSKTSHR
SCHEMBL20628143 0.84 BACE1 (0.52) BACE1BACE2CTSSCTSKTSHR
SCHEMBL29576064 0.84 BACE1 (0.52) BACE1BACE2CTSSCTSKTSHR
SCHEMBL29333170 0.83 AKT1 (0.55) CTSSCTSKTSHRAKT1
SCHEMBL20844302 0.83 FNTA (0.50) FNTAFNTB
SCHEMBL30402961 0.81 BACE1 (0.53) BACE1BACE2CTSSCTSKTSHR
SCHEMBL28625037 0.78 CTSS (0.48) BACE1CTSSCTSKAKT1
SCHEMBL30402129 0.78 CTSS (0.64) BACE1BACE2CTSSCTSKTSHR
SCHEMBL23983037 0.77 BACE1 (0.38) BACE1BACE2CTSDFNTAFNTB
SCHEMBL29460434 0.77 AKT1 (0.54) BACE1BACE2CTSSCTSKAKT1

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
EP-3689892-B1 RADIOACTIVE DRUG UNIV CHIBA NAT UNIV CORP (JP) 2024-07-17 — — EP disclosed
US-11167050-B2 Metal complex forming compound, metal complex compound formed thereof, radioactive drug containing the metal complex compound, and method of using and preparing the metal complex compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2021-11-09 — — US disclosed
US-20200268913-A1 RADIOACTIVE DRUG NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2020-08-27 — — US disclosed
EP-3689892-A1 RADIOACTIVE DRUG National University Corporation Chiba University (JP) 2020-08-05 — — EP 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-11167050-B2 Metal complex forming compound, metal complex compound formed thereof, radioactive drug containing the metal complex compound, and method of using and preparing the metal complex compound SLC30A6, AP1M1, SLC39A11 BACE1 1479/4885BACE2 2238/4885CTSS 2845/4885
US-20200268913-A1 RADIOACTIVE DRUG TFRC, LUC7L2, MRPL19 BACE1 1667/4885BACE2 1532/4885CTSS 2539/4885

“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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