SCHEMBL29357754

SCHEMBL29357754

C[C@@H](O)COc1ccc(-c2ccc(NCCNC(=O)OC(C)(C)C)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.41
▸ CA12 O43570 5/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ LATS1 O95835 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ SUCNR1 Q9BXA5 6/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36

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
SCHEMBL18990935 0.86 LMNA (0.41) GPR35
SCHEMBL31080129 0.83 GPR88 (0.40) GPR88CA12CA1CA2CA9
SCHEMBL29354779 0.83 GPR88 (0.40) GPR88CA12CA1CA2CA9
SCHEMBL29357817 0.82 MALT1 (0.43) GPR88CA12CA1CA2CA9
SCHEMBL18990554 0.80 CA12 (0.41) CA12CA1CA2CA9MALT1
SCHEMBL31079965 0.80 CA12 (0.41) CA12CA1CA2CA9MALT1
SCHEMBL18990553 0.80 CA12 (0.41) CA12CA1CA2CA9MALT1
SCHEMBL18990453 0.76 AAK1 (0.45) GPR88CA12CA1CA2CA9
SCHEMBL31079975 0.76 AAK1 (0.45) GPR88CA12CA1CA2CA9
SCHEMBL18990450 0.76 AAK1 (0.45) GPR88CA12CA1CA2CA9

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 GPR88 747/4885CA12 1543/4885CA1 4211/4885

“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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