SCHEMBL2156607

SCHEMBL2156607

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSK P43235 6/20 0.47
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 6/20 0.45
PPARG P37231 5/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
IDO1 P14902 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL2156601 1.00 CTSS (0.47) CTSSCTSKGRNSORT1MEN1
SCHEMBL7208742 1.00 CTSS (0.47) CTSSCTSKGRNSORT1MEN1
SCHEMBL19696791 0.87 CYP1A2 (0.43) CTSSCTSKMEN1GAAKMT2A
SCHEMBL19696792 0.87 CYP1A2 (0.43) CTSSCTSKMEN1GAAKMT2A
SCHEMBL10224757 0.86 CTSK (0.49) CTSSCTSKMEN1GAAKMT2A
SCHEMBL12486933 0.86 CTSK (0.49) CTSSCTSKMEN1GAAKMT2A
SCHEMBL7279368 0.86 CTSK (0.49) CTSSCTSKMEN1GAAKMT2A
SCHEMBL25266674 0.85 CTSS (0.46) CTSSCTSKMEN1GAAKMT2A
SCHEMBL3714678 0.85 NFKB1 (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL4192573 0.85 CTSS (0.46) CTSSCTSKMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286455-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2025-04-29 US disclosed
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 US disclosed
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN disclosed
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed
EP-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 EP disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP disclosed
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders BAYLY CHRISTOPHER I (CA) 2003-12-18 US disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 WO disclosed
US-6617426-B1 Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury MERCK SHARP & DOHME CORP. 2003-09-09 US disclosed
US-6380398-B2 COMPOUNDS SUCH AS (S,S)1-(2-AMINO-3,3-DIMETHYL-BUTYRYL)-2,5-DIHYDRO-1H-PYRROLE-2 -CARBONITRILE ADMINISTERED AS ANTIDIABETIC AGENTS; DIPEPTIDYL PEPTIDASE-IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-04-30 US disclosed
EP-1194443-A1 CYSTEINYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2001-10-18 US disclosed
WO-2000078794-A1 CYSTEINYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 WO 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-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 CTSS 548/4885CTSK 1247/4885GRN 3570/4885
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders CTSE, CTSB, CTSS CTSS 3/4885CTSK 4/4885GRN 2460/4885
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 CTSS 484/4885CTSK 622/4885GRN 4295/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 CTSS 1275/4885CTSK 2290/4885GRN 3778/4885
US-12286455-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP CTSS 245/4885CTSK 204/4885GRN 3117/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB CTSS 2/4885CTSK 4/4885GRN 2372/4885

“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.