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Sugi Predict / Compounds / SCHEMBL3817907

SCHEMBL3817907

SCHEMBL3817907

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.65
▸ CTSS P25774 7/20 0.57
▸ CTSK P43235 6/20 0.57
▸ CTSB P07858 4/20 0.57
▸ PPARA Q07869 3/20 0.57
▸ CTSL P07711 2/20 0.56
▸ PTPN1 P18031 2/20 0.56
▸ PPARG P37231 2/20 0.54
▸ ITGB3 P05106 2/20 0.53
▸ ITGA2B P08514 2/20 0.53
▸ APP P05067 1/20 0.53
▸ NOS2 P35228 1/20 0.52
▸ ITGB1 P05556 1/20 0.52
▸ ITGAV P06756 1/20 0.52
▸ ITGB5 P18084 1/20 0.52
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL9956884 1.00 ACE (0.65) ACECTSSCTSKCTSBPPARA
SCHEMBL29401155 1.00 ACE (0.65) ACECTSSCTSKCTSBPPARA
SCHEMBL30082858 1.00 ACE (0.65) ACECTSSCTSKCTSBPPARA
SCHEMBL2803616 1.00 ACE (0.65) ACECTSSCTSKCTSBPPARA
SCHEMBL15856094 0.90 CTSS (0.55) ACECTSSCTSKCTSBPPARA
SCHEMBL15856124 0.90 CTSS (0.55) ACECTSSCTSKCTSBPPARA
SCHEMBL2352344 0.89 KLK5 (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL6491302 0.89 KLK5 (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL2352336 0.89 KLK5 (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL29543144 0.89 KLK5 (0.59) ACECTSSCTSKCTSBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 — — CN claimed
US-12473331-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2025-11-18 — — US disclosed
US-20240262791-A1 BIOREACTIVE PROTEINS CONTAINING UNNATURAL AMINO ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-08-08 — — US disclosed
CN-117693509-A Macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2024-03-12 — — CN disclosed
EP-4330214-A2 BIOREACTIVE PROTEINS CONTAINING UNNATURAL AMINO ACIDS The Regents of the University of California (US) 2024-03-06 — — EP disclosed
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS LLC (US) 2024-02-29 — — US disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 — — US disclosed
WO-2024035871-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY AVIKO RADIOPHARMACEUTICALS, LLC (US) 2024-02-15 — — WO disclosed
US-20240043470-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS UNIV CORNELL (US) 2024-02-08 — — US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 — — US disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 — — WO disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 — — EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 — — US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 — — US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 — — EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 — — 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 (8 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-20240043470-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB3 ACE 1331/4885CTSS 640/4885CTSK 1101/4885
US-20240262791-A1 BIOREACTIVE PROTEINS CONTAINING UNNATURAL AMINO ACIDS FRK, DEK, BLK ACE 2166/4885CTSS 448/4885CTSK 75/4885
US-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME ACE 102/4885CTSS 112/4885CTSK 458/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 ACE 1331/4885CTSS 640/4885CTSK 1101/4885
US-12473331-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 ACE 1331/4885CTSS 640/4885CTSK 1101/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ACE 1332/4885CTSS 1158/4885CTSK 1629/4885
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 ACE 1373/4885CTSS 1535/4885CTSK 1701/4885
US-20240067665-A1 SMALL MOLECULES FOR BORON NEUTRON CAPTURE THERAPY NME2, BTD, BLVRB ACE 4079/4885CTSS 1784/4885CTSK 1803/4885

“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.