SCHEMBL25484162

SCHEMBL25484162

CCOC(=O)C(=O)c1nc(NC(=O)OC(C)(C)C)sc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
LCK P06239 9/20 0.43
PI4KB Q9UBF8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL20571146 0.89 LCK (0.44) ALDH1A1LCKPI4KBCA1CA2
SCHEMBL25484179 0.89 LCK (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL8919365 0.88 GAA (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL25484173 0.87 LCK (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL9915405 0.85 LCK (0.45) LCKPI4KBCA1CA2
SCHEMBL2872950 0.82 LCK (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL15348877 0.81 NPC1 (0.47) GAALCKPI4KBCA1CA2
SCHEMBL9529235 0.80 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19GAAPI4KB
SCHEMBL25484165 0.78 NPC1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL29019241 0.78 MEN1 (0.50) ALDH1A1GAALCKPI4KBCA1

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-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 US disclosed
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 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-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS LBR, MRPL21, MRPL19 ALDH1A1 3531/4885CYP1A2 824/4885CYP2C9 503/4885

“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.