SCHEMBL6231600

SCHEMBL6231600

COC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
PPARA Q07869 3/20 0.55
CTSS P25774 7/20 0.55
MAPT P10636 1/20 0.53
CTSK P43235 6/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 3/20 0.53
KLK5 Q9Y337 2/20 0.53
KYNU Q16719 1/20 0.52
PPARG P37231 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KLK7 P49862 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL14842312 1.00 SYK (0.64) SYKPPARACTSSMAPTCTSK
SCHEMBL14496968 0.95 SYK (0.71) SYKPPARACTSSCTSKCTSL
SCHEMBL479093 0.95 SYK (0.71) SYKPPARACTSSCTSKCTSL
SCHEMBL479092 0.95 SYK (0.71) SYKPPARACTSSCTSKCTSL
SCHEMBL20297671 0.93 SYK (0.64) SYKPPARACTSSMAPTCTSK
SCHEMBL18340847 0.93 SYK (0.64) SYKPPARACTSSMAPTCTSK
SCHEMBL17841824 0.91 SYK (0.65) SYKPPARACTSSMAPTCTSK
SCHEMBL1022494 0.91 SYK (0.65) SYKPPARACTSSMAPTCTSK
SCHEMBL606625 0.91 SYK (0.65) SYKPPARACTSSMAPTCTSK
SCHEMBL1626508 0.90 SYK (0.67) SYKPPARACTSSMAPTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240277795-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF PARDES BIOSCIENCES INC (US) 2024-08-22 US disclosed
EP-4387980-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-06-26 EP disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker INTOCELL INC. (KR) 2021-07-20 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 EP disclosed
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker INTOCELL INC. (KR) 2019-10-31 US disclosed
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
EP-2763976-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 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 (7 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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 SYK 839/4885PPARA 3476/4885CTSS 308/4885
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 SYK 874/4885PPARA 4737/4885CTSS 2542/4885
US-20240277795-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CPN1, CTSL SYK 2724/4885PPARA 4532/4885CTSS 12/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 SYK 874/4885PPARA 4737/4885CTSS 2542/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK SYK 1/4885PPARA 2582/4885CTSS 1328/4885
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 SYK 3492/4885PPARA 3055/4885CTSS 2698/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 SYK 839/4885PPARA 3476/4885CTSS 308/4885

“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.