SCHEMBL25567964

SCHEMBL25567964

CC(C)(C)OC(=O)NC1C=CC(=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 9/20 0.75
NFKB2 Q00653 9/20 0.75
RELA Q04206 9/20 0.75
BTK Q06187 1/20 0.42
GAA P10253 2/20 0.41
DRD2 P14416 2/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL22227389 1.00 NFKB1 (0.75) NFKB1NFKB2RELABTKGAA
SCHEMBL6917362 1.00 NFKB1 (0.75) NFKB1NFKB2RELABTKGAA
SCHEMBL14586683 0.86 NFKB1 (1.00) NFKB1NFKB2RELABTKGAA
SCHEMBL14586681 0.86 NFKB1 (1.00) NFKB1NFKB2RELABTKGAA
SCHEMBL5600252 0.86 NFKB1 (1.00) NFKB1NFKB2RELABTKGAA
SCHEMBL1719310 0.78 NFKB1 (0.53) NFKB1NFKB2RELADRD2KDM1A
SCHEMBL13836558 0.75 NFKB1 (0.44) NFKB1NFKB2RELA
SCHEMBL10423458 0.75 NFKB1 (0.64) NFKB1NFKB2RELABTKGAA
SCHEMBL22241778 0.74 NFKB1 (0.55) NFKB1NFKB2RELABTKGAA
SCHEMBL2630503 0.74 NFKB1 (0.55) NFKB1NFKB2RELABTKGAA

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
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM NFKB1 1604/4885NFKB2 2316/4885RELA 946/4885

“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.