SCHEMBL2476918

SCHEMBL2476918

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
CTSS P25774 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
APP P05067 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
MME P08473 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL3026223 1.00 ACE (0.54) ACEITGA4ITGB7CTSSMAPT
SCHEMBL3268059 1.00 ACE (0.54) ACEITGA4ITGB7CTSSMAPT
SCHEMBL6428127 0.90 ITGA4 (0.62) ACEITGA4ITGB7CTSSMAPT
SCHEMBL4022466 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL19511106 0.89 CTSS (0.52) ACEITGA4ITGB7CTSSCTSK
SCHEMBL4022463 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL6440329 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL25433605 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT
SCHEMBL5803681 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT
SCHEMBL25433606 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2019-04-23 US disclosed
US-9980929-B2 Trifluoromethylpropanamide derivatives HOFFMAN-LA ROCHE INC. (US) 2018-05-29 US disclosed
US-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2018-01-25 US disclosed
US-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-12-07 US disclosed
EP-2388245-B1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2017-07-12 EP disclosed
US-9682944-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2017-06-20 US disclosed
EP-2217549-B1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2017-04-19 EP disclosed
US-20150030539-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2015-01-29 US disclosed
US-8784775-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2014-07-22 US disclosed
EP-2388245-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Pharma AG (DE) 2011-11-23 EP disclosed
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 US disclosed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 US disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP disclosed
EP-1061956-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.p.A. (IT) 2000-12-27 EP disclosed
WO-2000044733-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-03 WO disclosed
WO-1999045967-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.P.A. (IT) 1999-09-16 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-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES PRMT7, GFRA3, PRMT5 ACE 188/4885ITGA4 2312/4885ITGB7 1745/4885
US-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL ACE 2988/4885ITGA4 4860/4885ITGB7 4799/4885
US-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PMP22, MEN1, VHL ACE 2988/4885ITGA4 4860/4885ITGB7 4799/4885
US-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R ACE 3224/4885ITGA4 713/4885ITGB7 1636/4885
US-20150030539-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL ACE 2988/4885ITGA4 4860/4885ITGB7 4799/4885
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 ACE 105/4885ITGA4 4430/4885ITGB7 4632/4885

“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.