SCHEMBL25568644

SCHEMBL25568644

CC(C)(C)OC(=O)NC1(CCOS(C)(=O)=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA2 P00918 1/20 0.33
CTSL P07711 1/20 0.31
PPIA P62937 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30

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
SCHEMBL3366524 0.94 CA12 (0.34) P2RX7CA12CA14CA1CA7
SCHEMBL18131268 0.86 P2RX7 (0.36) P2RX7CA12CA14CA1CA7
SCHEMBL24845269 0.85 KDM4E (0.41) P2RX7CA12CA14CA1CA7
SCHEMBL25702334 0.82 P2RX7 (0.39) P2RX7CA12CA14CA1CA7
SCHEMBL2876384 0.82 P2RX7 (0.40) P2RX7CA12CA14CA1CA7
SCHEMBL10239091 0.80 CA12 (0.36) P2RX7CA12CA14CA1CA7
SCHEMBL19953448 0.80 MEN1 (0.33) CA12CA14CA1CA7CA2
SCHEMBL13877007 0.79 TDP1 (0.40) P2RX7CA12CA14CA1CA7
SCHEMBL25574885 0.78 P2RX7 (0.38) P2RX7CA12CA14CA1CA7
SCHEMBL30687446 0.77 CA12 (0.34) P2RX7CA12CA14CA1CA7

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 2 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

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 P2RX7 3054/4885CA12 58/4885CA14 592/4885

“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.