SCHEMBL4420859

SCHEMBL4420859

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.67
CTSS P25774 7/20 0.67
CTSK P43235 6/20 0.67
CTSB P07858 2/20 0.67
CTSL P07711 1/20 0.67
ACE P12821 1/20 0.64
ATM Q13315 1/20 0.59
AKT1 P31749 1/20 0.58
KLK5 Q9Y337 1/20 0.56
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
APP P05067 1/20 0.54

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
SCHEMBL7618822 1.00 REN (0.67) RENCTSSCTSKCTSBCTSL
SCHEMBL2173588 1.00 REN (0.67) RENCTSSCTSKCTSBCTSL
SCHEMBL22962389 0.95 REN (0.75) RENCTSSCTSKCTSBCTSL
SCHEMBL27555716 0.95 REN (0.75) RENCTSSCTSKCTSBCTSL
SCHEMBL11050511 0.95 REN (0.75) RENCTSSCTSKCTSBCTSL
SCHEMBL24438783 0.93 CTSS (0.69) RENCTSSCTSKCTSBCTSL
SCHEMBL8182259 0.93 CTSS (0.69) RENCTSSCTSKCTSBCTSL
SCHEMBL13821431 0.93 CTSS (0.69) RENCTSSCTSKCTSBCTSL
SCHEMBL29484078 0.91 REN (0.68) RENCTSSCTSKCTSBCTSL
SCHEMBL7208458 0.90 REN (0.67) RENCTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
CN-116874515-A Amino acid-BSH targeted hybrid compound, and preparation method and application thereof 重庆高硼生物科技有限公司 2023-10-13 CN disclosed
EP-3897560-B1 COMPOSITION COMPRISING OXALAMIDE GELATORS AND VEGETABLE OIL RUDJER BOSKOVIC INST (HR) 2022-06-29 EP disclosed
US-20220023179-A1 COMPOSITION COMPRISING OXALAMIDE GELATORS AND VEGETABLE OIL RUDJER BOSKOVIC INSTITUTE (HR) 2022-01-27 US disclosed
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections EMORY UNIVERSITY (US) 2021-12-28 US disclosed
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
EP-3327027-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-07-07 EP disclosed
CN-107567438-B Riluzole prodrugs and uses thereof 拜尔哈文制药股份有限公司 2021-06-29 CN disclosed
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2021-04-20 US disclosed
EP-0605667-A1 DIAMINE DERIVATIVES HAVING SELECTIVE AFFINITY FOR SIGMA RECEPTORS BATTELLE MEMORIAL INSTITUTE (CH) 1994-07-13 EP disclosed
WO-1993022279-A1 DIAMINE DERIVATIVES HAVING SELECTIVE AFFINITY FOR SIGMA RECEPTORS BATTELLE MEMORIAL INSTITUTE (CH) 1993-11-11 WO disclosed
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
EP-0190597-A2 Retro-inverso analogs of the bradykinin potentiating peptide bpp 5a SCLAVO S.p.A. (IT) 1986-08-13 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 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 (5 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA REN 4063/4885CTSS 682/4885CTSK 1372/4885
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 REN 3161/4885CTSS 3000/4885CTSK 3034/4885
US-20220023179-A1 COMPOSITION COMPRISING OXALAMIDE GELATORS AND VEGETABLE OIL OAT, OTC, ODC1 REN 2778/4885CTSS 3138/4885CTSK 2499/4885
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 REN 3161/4885CTSS 3000/4885CTSK 3034/4885
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections ACE2, SARS1, VIP REN 270/4885CTSS 332/4885CTSK 1160/4885

“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.