SCHEMBL5310673

SCHEMBL5310673

CC(C)(C)OC(=O)NCC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.50
▸ CTSK P43235 10/20 0.47
▸ CTSS P25774 7/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ CAPN1 P07384 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL18341271 1.00 SYK (0.50) SYKCTSKCTSSCTSLCTSB
SCHEMBL30489643 1.00 SYK (0.50) SYKCTSKCTSSCTSLCTSB
SCHEMBL24257009 0.93 SYK (0.48) SYKCTSKCTSSCTSLCTSB
SCHEMBL13055405 0.91 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL5544757 0.90 CTSS (0.47) SYKCTSKCTSSCTSLCTSB
SCHEMBL20974393 0.90 SYK (0.48) SYKCTSKCTSSCTSLCTSB
SCHEMBL8782362 0.88 CTSK (0.42) SYKCTSKCTSSCTSLCTSB
SCHEMBL5025247 0.87 SYK (0.43) SYKCTSKCTSSCTSLCTSB
SCHEMBL2861782 0.87 CA1 (0.52) CTSKCTSSCTSLCTSBTDP1
SCHEMBL24257159 0.86 SYK (0.49) SYKCTSKCTSSCTSLCTSB

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 21 patents — showing the first 20. 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
EP-4074709-A1 MONOCYCLIC BETA-LACTAM COMPOUND AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2022-10-19 — — EP disclosed
WO-2021115444-A1 MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF 苏州信诺维医药科技股份有限公司 2021-06-17 — — WO disclosed
WO-2020037652-A1 HUMAN TOPOISOMERASE II-TARGETING ORGANOPLATINUM COMPOUNDS LI TSAI KUN (CN) 2020-02-27 — — WO disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 — — EP disclosed
US-20040005274-A1 Targeting multimeric imaging agents through multilocus binding EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-01-08 — — US disclosed
US-6652835-B1 Improved relaxivity properties upon binding EPIX MEDICAL, INC. 2003-11-25 — — US disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 — — EP disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 — — US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 — — US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 — — US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 — — US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 — — EP disclosed
EP-0144825-B1 CYCLIC GUANIDINYL THIO CARBAPENEMS MERCK & CO. INC. (US) 1989-07-05 — — EP disclosed
US-4717728-A ANTIBIOTICS MERCK & CO., INC. (US) 1988-01-05 — — US disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 — — US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 — — EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 — — 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 (3 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-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX SYK 680/4885CTSK 584/4885CTSS 304/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX SYK 683/4885CTSK 624/4885CTSS 314/4885
US-20040005274-A1 Targeting multimeric imaging agents through multilocus binding ILK, PBRM1, FABP1 SYK 2284/4885CTSK 3535/4885CTSS 2442/4885

“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.

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