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Sugi Predict / Compounds / SCHEMBL9529235

SCHEMBL9529235

SCHEMBL9529235

CCOC(=O)C(=O)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PI4KB Q9UBF8 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ GAA P10253 4/20 0.43
▸ TSHR P16473 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL18990185 0.95 CYP1A2 (0.47) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL9660129 0.90 CYP1A2 (0.49) CYP1A2CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL31079908 0.88 L3MBTL1 (0.44) CYP1A2CYP2C19ABCB1PI4KB
SCHEMBL21911454 0.88 CYP1A2 (0.49) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL8897343 0.88 ABCB1 (0.48) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL465734 0.87 CYP1A2 (0.67) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL10995722 0.87 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL10922741 0.86 CYP1A2 (0.47) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL10540281 0.86 PI4KB (0.40) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A
SCHEMBL8857431 0.86 MAPT (0.48) CYP1A2CYP2C19SMN1; SMN2ABCB1RAB9A

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 — — EP disclosed
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 — — CN disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
CN-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN 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
CN-112771040-B Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2022-10-18 — — CN disclosed
CN-108778273-B Bicyclic aryl monocyclic beta-lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2022-06-17 — — CN disclosed
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 — — US disclosed
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US disclosed
EP-0187500-B1 MONOBACTAMS THE UPJOHN COMPANY (US) 1993-04-28 — — EP disclosed
US-4808724-A 2-aminothiazolyl-containing β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 — — US disclosed
EP-0049448-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1988-08-24 — — EP disclosed
US-4735938-A 2-aminothiazolyl-containing β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-04-05 — — US disclosed
EP-0187500-A1 Monobactams THE UPJOHN COMPANY (US) 1986-07-16 — — EP disclosed
US-4416880-A β-Lactam antibiotics and compositions containing the same BAYER AKTIENGESELLSCHAFT (DE) 1983-11-22 — — US disclosed
EP-0082498-A2 Beta-lactam compounds and process for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1983-06-29 — — EP disclosed
EP-0049448-A2 Beta-lactam antibiotics, process for their preparation and compositions containing them BAYER AG (DE) 1982-04-14 — — EP disclosed
EP-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 — — 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 (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-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS LBR, MRPL21, MRPL19 CYP1A2 824/4885CYP2C19 328/4885SMN1; SMN2 2092/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CYP1A2 2229/4885CYP2C19 2202/4885SMN1; SMN2 3662/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CYP1A2 3212/4885CYP2C19 2901/4885SMN1; SMN2 3101/4885

“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.