SCHEMBL23200959

SCHEMBL23200959

CC(OCC(N)=O)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSS P25774 4/20 0.46
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.37
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
APP P05067 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL23200957 1.00 CTSK (0.46) CTSKCTSSCA2CA1CA7
SCHEMBL1536360 0.83 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL10190348 0.83 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL18799498 0.83 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL18755031 0.83 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL31407801 0.81 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL31407815 0.81 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL25168226 0.78 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL9910753 0.78 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL25055695 0.78 CTSK (0.46) CTSKCTSSCA2CA1CA7

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-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

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 CTSK 2792/4885CTSS 1293/4885CA2 2155/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CTSK 2792/4885CTSS 1293/4885CA2 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.