SCHEMBL9201993

SCHEMBL9201993

CC(=O)S[C@H]1C[C@H](C(=O)N(C)C)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 2/20 0.37
MAOB P27338 1/20 0.36
HTT P42858 2/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 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
SCHEMBL9728172 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL195654 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9728220 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9200986 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9734477 0.91 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL20634425 0.89 ALDH1A1 (0.40) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL5095110 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL8541738 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9728021 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9381292 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163371-A Meropenem side chain optical isomer, preparation method and application thereof, and detection method of impurities in Meropenem side chain 天津市敬业精细化工有限公司 2022-03-11 CN disclosed
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed