SCHEMBL10246509

SCHEMBL10246509

CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
CTSK P43235 7/20 0.42
CTSS P25774 5/20 0.42
IDO1 P14902 1/20 0.41
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
FDPS P14324 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL606575 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL6739624 1.00 PPARA (0.44) PPARAPPARGACEPPARDCTSK
SCHEMBL20263054 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL20263052 0.88 NLRP3 (0.41) CTSKCTSSCTSLCTSBFDPS
SCHEMBL24109023 0.88 NLRP3 (0.36) PPARAPPARGACEPPARDCTSK
SCHEMBL28853919 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL1033716 0.87 PPARA (0.42) PPARAPPARGACEPPARDCTSK
SCHEMBL304552 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL304551 0.86 FDPS (0.43) ITGA4ITGB7FDPSNLRP3
SCHEMBL14737322 0.84 FDPS (0.41) CTSKCTSSFDPSNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 US disclosed
EP-4516301-A2 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2025-03-05 EP disclosed
EP-4166539-B1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS PFIZER (US) 2024-10-09 EP disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 CN disclosed
CN-116789648-A Nitrile-containing antiviral compounds 辉瑞大药厂 2023-09-22 CN disclosed
CN-114466838-B Nitrile-containing antiviral compounds 辉瑞大药厂 2023-05-02 CN disclosed
US-20230120254-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2023-04-20 US disclosed
EP-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 EP disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 US disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 US disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 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 (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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 PPARA 3322/4885PPARG 3927/4885ACE 942/4885
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 PPARA 3543/4885PPARG 1637/4885ACE 4444/4885
US-20230120254-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 PPARA 3763/4885PPARG 4400/4885ACE 5/4885
US-20250099424-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 PPARA 3763/4885PPARG 4400/4885ACE 5/4885
US-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 PPARA 3763/4885PPARG 4400/4885ACE 5/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PPARA 3300/4885PPARG 3894/4885ACE 959/4885

“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.