SCHEMBL22017475

SCHEMBL22017475

CC(C)(C)OC(=O)Nc1nc(C(NC(=O)OC(C)(C)C)C(=O)O)cs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CCR2 P41597 2/20 0.39
PTPRB P23467 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LCK P06239 4/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL11204633 1.00 PI4KB (0.42) PI4KBCA1CA2CCR2PTPRB
SCHEMBL23452689 0.90 PTPRB (0.39) PI4KBPTPRBCTSSCTSK
SCHEMBL9484015 0.89 TMIGD3 (0.38) PI4KBCCR2PTPRBCTSSCTSK
SCHEMBL9075472 0.88 HDAC3 (0.38) PI4KBPTPRBCTSSCTSKHDAC3
SCHEMBL11071626 0.88 PI4KB (0.39) PI4KBCA1CA2CCR2PTPRB
SCHEMBL11072639 0.88 PI4KB (0.39) PI4KBCA1CA2CCR2PTPRB
SCHEMBL11081890 0.88 PI4KB (0.39) PI4KBCA1CA2CCR2PTPRB
SCHEMBL11264705 0.88 PI4KB (0.38) PI4KBCCR2PTPRBSIRT1CTSS
SCHEMBL11207490 0.87 CA1 (0.43) PI4KBCA1CA2CCR2PTPRB
SCHEMBL8868383 0.86 CTSK (0.39) PI4KBPTPRBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 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 (3 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-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL PI4KB 1655/4885CA1 3021/4885CA2 2155/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL PI4KB 1655/4885CA1 3021/4885CA2 2155/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL PI4KB 1655/4885CA1 3021/4885CA2 2155/4885

“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.