SCHEMBL6519145

SCHEMBL6519145

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CYP2D6 P10635 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
REN P00797 5/20 0.47
BACE1 P56817 3/20 0.45
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL11043050 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL10535982 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL11137675 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL5411977 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL7828875 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL10537924 0.87 REN (0.57) CA1CA2CA7CYP2D6REN
SCHEMBL10977303 0.87 CA1 (0.53) CA1CA2CA7CYP2D6REN
SCHEMBL764842 0.87 REN (0.57) CA1CA2CA7CYP2D6REN
SCHEMBL8270788 0.86 CA1 (0.49) CA1CA2CA7CYP2D6CTSL
SCHEMBL10573647 0.85 CA1 (0.51) CA1CA2CA7CYP2D6REN

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309297-B1 Therapeutic peptides UNIV TULANE (US) 1994-11-09 EP claimed
EP-0309297-A2 Therapeutic peptides The Administrators of The Tulane Educational Fund (US) 1989-03-29 EP claimed
US-4397786-A Method of preparing statine and derivatives MERCK & CO., INC. (US) 1983-08-09 US claimed
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2023-03-23 US disclosed
EP-4029501-A1 COMBINATION OF POLYAROMATIC UREA DERIVATIVES AND GLUCOCORTICOID OR HDAC INHIBITOR FOR THE TREATMENT OF DISEASES OR CONDITIONS ASSOCIATED WITH MUSCLE CELLS AND/OR SATELLITE CELLS Anagenesis Biotechnologies (FR) 2022-07-20 EP disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
WO-2016197190-A1 STRUCTURE OF PLASMEPSIN V IN COMPLEX WITH AN INHIBITOR AND USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2016-12-15 WO disclosed
US-8101661-B2 Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same KEMPHARM, INC. (US) 2012-01-24 US disclosed
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2011-09-01 US disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 US disclosed
EP-0206807-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-12-30 EP disclosed
EP-0200406-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-11-05 EP disclosed
EP-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US disclosed
EP-0155809-A2 Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1985-09-25 EP disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP disclosed
US-4397786-A Method of preparing statine and derivatives MERCK & CO., INC. (US) 1983-08-09 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 (3 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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 CA1 2576/4885CA2 3812/4885CA7 3152/4885
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES CKMT1A; CKMT1B, TNNC1, UBQLN2 CA1 4765/4885CA2 4350/4885CA7 3754/4885
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A3, SLC6A2, SLC6A15 CA1 1877/4885CA2 3250/4885CA7 2449/4885

“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.