SCHEMBL3074858

SCHEMBL3074858

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CYP2D6 P10635 1/20 0.47
CTSK P43235 9/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL20315234 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL20297781 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL26818234 0.85 CTSK (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL26818309 0.83 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL26818244 0.82 CTSK (0.60) CA1CA2CA7CTSKCTSS
SCHEMBL10522274 0.82 CA1 (0.59) CA1CA2CA7CYP2D6CTSK
SCHEMBL12666832 0.82 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL69002 0.82 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL22365651 0.82 CA1 (0.59) CA1CA2CA7CYP2D6CTSK
SCHEMBL57084 0.82 CA1 (0.55) CA1CA2CA7CYP2D6CTSK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
CN-109476668-A For treating 6,7- dihydro -4H- pyrazolo [1,5-a] pyrazine and 6,7- dihydro -4H- triazol [1,5-a] pyrazine compound of infectious diseases 豪夫迈·罗氏有限公司 2019-03-15 CN disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
EP-2909223-B1 DINUCLEOTIDE COMPOUNDS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-03-22 EP disclosed
EP-2084154-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER IP GMBH (DE) 2012-11-21 EP disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
EP-2209776-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDER Bayer Schering Pharma AG (DE) 2010-07-28 EP disclosed
EP-2084154-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-05 EP disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 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 (4 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-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES CYP3A5, RRP15, HAVCR2 CA1 4872/4885CA2 4766/4885CA7 4853/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR CA1 4835/4885CA2 4542/4885CA7 4773/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT CA1 3266/4885CA2 2133/4885CA7 2808/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX CA1 457/4885CA2 186/4885CA7 117/4885

“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.