SCHEMBL9320155

SCHEMBL9320155

COc1cccc(C(O)C(N)C(=O)O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NFE2L2 Q16236 2/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9320152 0.87 ACHE (0.58) ACHECA12CA1CA2CA7
SCHEMBL23200753 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4697541 0.81 FABP4 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9320774 0.81 ACHE (0.58) ACHECA12CA1CA2CA7
SCHEMBL23200728 0.81 ACHE (0.55) ACHECA12CA1CA2CA7
SCHEMBL14394480 0.79 ALDH1A1 (0.48) ACHECA1CA2ALDH1A1MAPT
SCHEMBL490689 0.78 PTGS1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL9320700 0.77 NFE2L2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28553711 0.77 MEN1 (0.47) ALDH1A1MAPTNFE2L2KMT2AMEN1
SCHEMBL27819715 0.76 CA12 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN disclosed
EP-0440887-B1 Improvement in the total synthesis of Erbstatin analogs ERBA CARLO SPA (IT) 1994-01-26 EP disclosed
US-5130472-A TOTAL SYNTHESIS OF ERBSTATIN ANALOGS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-14 US disclosed
EP-0440887-A1 Improvement in the total synthesis of Erbstatin analogs FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-14 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 (2 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ACHE 479/4885CA12 3028/4885CA1 3021/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ACHE 479/4885CA12 3028/4885CA1 3021/4885

“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.