SCHEMBL29357614

SCHEMBL29357614

CC(C)(C)OC(=O)NC[C@@H](Cn1cc(-c2ccc(OC[C@H](ON3C(=O)c4ccccc4C3=O)C(=O)OC(C)(C)C)cc2)cn1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ MMP1 P03956 1/20 0.31

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
SCHEMBL20566293 1.00 POLB (0.32) POLBSMN1; SMN2MMP2MMP3MMP9
SCHEMBL20566536 0.95 MMP2 (0.33) POLBSMN1; SMN2MMP2MMP3MMP9
SCHEMBL20566534 0.95 MMP2 (0.33) POLBSMN1; SMN2MMP2MMP3MMP9
SCHEMBL29358093 0.89 SERPINE1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20566636 0.85 GSK3B (0.34) NAMPTSERPINE1PCSK9FFAR4
SCHEMBL20566637 0.85 GSK3B (0.34) NAMPTSERPINE1PCSK9FFAR4
SCHEMBL18991513 0.85 MMP2 (0.38) MMP2MMP3MMP9MMP13HDAC3
SCHEMBL29360136 0.85 MMP2 (0.38) MMP2MMP3MMP9MMP13HDAC3
SCHEMBL18991515 0.85 MMP2 (0.38) MMP2MMP3MMP9MMP13HDAC3
SCHEMBL20566410 0.84 SERPINE1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 — — EP disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 — — EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — US 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 (1 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-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX POLB 2500/4885SMN1; SMN2 3212/4885MMP2 693/4885

“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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