Sugi Predict

Sugi Predict / Compounds / SCHEMBL2867220

SCHEMBL2867220

SCHEMBL2867220

COC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.54
▸ CTSS P25774 12/20 0.53
▸ CTSK P43235 10/20 0.53
▸ ACE P12821 1/20 0.46
▸ CTSB P07858 4/20 0.45
▸ CTSL P07711 2/20 0.45
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ SCN9A Q15858 1/20 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
SCHEMBL4300762 1.00 KLK5 (0.54) KLK5CTSSCTSKACECTSB
SCHEMBL27125041 0.92 KLK5 (0.50) KLK5CTSSCTSKACECTSB
SCHEMBL23295416 0.91 KLK5 (0.49) KLK5CTSSCTSKACECTSB
SCHEMBL29830588 0.88 CTSS (0.50) KLK5CTSSCTSKACECTSB
SCHEMBL1202421 0.88 ACE (0.59) CTSSCTSKACECTSBCTSL
SCHEMBL14250214 0.88 ACE (0.59) CTSSCTSKACECTSBCTSL
SCHEMBL1448035 0.88 ACE (0.59) CTSSCTSKACECTSBCTSL
SCHEMBL479103 0.86 CTSS (0.67) KLK5CTSSCTSKACECTSB
SCHEMBL20553693 0.86 CTSS (0.53) CTSSCTSKACECTSBCTSL
SCHEMBL20553695 0.86 CTSS (0.53) CTSSCTSKACECTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 — — US claimed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 — — US claimed
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2005-06-16 — — US claimed
EP-1381597-A2 PROCESSES AND INTERMEDIATES FOR PREPARING BENZYL SUBSTITUTED EPOXIDES Elan Pharmaceuticals, Inc. (US) 2004-01-21 — — EP claimed
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2003-01-02 — — US claimed
WO-2002085877-A2 PROCESSES AND INTERMEDIATES FOR PREPARING BENZYL SUBSTITUTED EPOXIDES ELAN PHARMACEUTICALS, INC. (US) 2002-10-31 — — WO claimed
US-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-05-18 — — US disclosed
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 — — EP disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 — — US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 — — WO disclosed
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2005-06-16 — — US disclosed
US-6849750-B2 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-01 — — US disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 — — US disclosed
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2003-01-02 — — 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 (6 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-20230149408-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION POLR2H, POLR2E, EIF2AK2 KLK5 3754/4885CTSS 2975/4885CTSK 3672/4885
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP KLK5 467/4885CTSS 173/4885CTSK 64/4885
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides VKORC1, EPOR, POR KLK5 4251/4885CTSS 2095/4885CTSK 2194/4885
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, POR KLK5 4092/4885CTSS 1957/4885CTSK 1869/4885
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, VKORC1L1 KLK5 4230/4885CTSS 2132/4885CTSK 2148/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KLK5 1335/4885CTSS 98/4885CTSK 36/4885

“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.