SCHEMBL29037488

SCHEMBL29037488

CS(=O)(=O)c1ccc(OC(=O)[C@@H](N)CO)cc1.[Cu]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
GRM4 Q14833 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ENPP2 Q13822 1/20 0.38
ELANE P08246 1/20 0.37
PTGS1 P23219 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
SCHEMBL8526963 0.98 PTGS2 (0.43) PTGS2POLBMAPTPKMCYP11B1
SCHEMBL29242243 0.97 PTGS2 (0.42) PTGS2POLBMAPTPKMCYP11B1
Hydrochloric Acid SCHEMBL29172591 0.97 PTGS2 (0.42) PTGS2POLBMAPTPKMCYP11B1
SCHEMBL29172600 0.80 EPHX1 (0.39) PTGS2GRM4LMNATSHRENPP2
SCHEMBL6018863 0.77 SLC7A5 (0.42) PTGS2MAPTELANE
SCHEMBL28758996 0.77 TDP1 (0.40) PTGS2MAPTPKMLMNATSHR
SCHEMBL4540212 0.76 MAPT (0.48) POLBMAPTLMNATSHRELANE
SCHEMBL27607558 0.76 MAPT (0.48) POLBMAPTLMNATSHRELANE
SCHEMBL28954314 0.76 MAPT (0.48) POLBMAPTLMNATSHRELANE
SCHEMBL29169947 0.76 SCN9A (0.43) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084814-B Preparation method of florfenicol intermediate ring compound 山东国邦药业有限公司 2024-07-30 CN disclosed
CN-118271214-A Synthesis method of p-methylsulfonyl phenylserine ethyl ester 湖北中牧安达药业有限公司 2024-07-02 CN disclosed
CN-118084814-A Preparation method of florfenicol intermediate ring compound 山东国邦药业有限公司 2024-05-28 CN disclosed
CN-117551641-A High-temperature-resistant L-threonine aldolase mutant and application thereof in synthesis of L-syn-p-methylsulfonylbenzeneserine 宁波泓森生物科技有限公司 2024-02-13 CN disclosed
CN-115073333-B Racemization method based on active copper molecular sieve 江苏八巨药业有限公司 2024-01-19 CN disclosed
CN-117263833-A Preparation method of D-p-methylsulfonyl phenylserine ethyl ester 宁夏华吉生物有限公司 2023-12-22 CN disclosed
CN-114134134-B L-threonine aldolase mutant and application thereof in synthesis of L-syn-p-methylsulfonyl phenylserine 宁波泓森生物科技有限公司 2023-07-14 CN disclosed