SCHEMBL14715693

SCHEMBL14715693

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
CA2 P00918 6/20 0.49
CA1 P00915 5/20 0.49
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 2/20 0.47
TGM2 P21980 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 2/20 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
SCHEMBL8527030 1.00 ITGB1 (0.53) ITGB1ITGA4CA2CA1CA12
SCHEMBL8526966 1.00 ITGB1 (0.53) ITGB1ITGA4CA2CA1CA12
SCHEMBL27850294 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
SCHEMBL22163853 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
SCHEMBL22163849 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
SCHEMBL29242244 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
Magnesium SCHEMBL29614114 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
SCHEMBL28830891 0.98 ITGB1 (0.52) ITGB1ITGA4CA2CA1CA12
Acetaldehyde SCHEMBL28427100 0.94 ITGB1 (0.49) ITGB1ITGA4CA2CA1CA12
SCHEMBL29242177 0.88 ITGB1 (0.47) ITGB1ITGA4CA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736939-B Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-09-02 CN claimed
CN-114736939-A Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-07-12 CN claimed
EP-1948594-B1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF CHLORAMPHENICOL OR ITS ANALOGUES KRKA (SI) 2013-02-27 EP claimed
CN-118853641-A L-threonine aldolase and preparation method and application thereof 弈柯莱生物科技(重庆)有限公司 2024-10-29 CN disclosed
CN-117646044-A Method for synthesizing (1R, 2R) -4-methylsulfonyl benzene silk amino alcohol by multi-enzyme cascade and application thereof 福州大学 2024-03-05 CN disclosed
CN-117646044-A Method for synthesizing (1R, 2R) -4-methylsulfonyl benzene silk amino alcohol by multi-enzyme cascade and application thereof 福州大学 2024-03-05 CN disclosed
CN-117384877-A Serine hydroxymethyl transferase and application thereof in preparation of (2S, 3R) -p-methylsulfonyl phenylserine 弈柯莱生物科技(集团)股份有限公司 2024-01-12 CN disclosed
CN-115433727-B L-threonine aldolase and preparation method and application thereof 弈柯莱生物科技(集团)股份有限公司 2023-11-17 CN disclosed
CN-116410967-A L-threonine aldolase and preparation method and application thereof 弈柯莱生物科技(重庆)有限公司 2023-07-11 CN disclosed
CN-115433727-A L-threonine aldolase, and preparation method and application thereof 弈柯莱生物科技(上海)股份有限公司 2022-12-06 CN disclosed
CN-114958935-B Synthesis method of chiral (2S, 3R) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-10-28 CN disclosed
CN-114736939-B Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-09-02 CN disclosed
CN-114958935-A Synthesis method of chiral (2S,3R) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-08-30 CN disclosed
CN-114736939-A Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-07-12 CN disclosed
CN-114736939-A Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-07-12 CN disclosed
CN-114736939-A Method for promoting enzymatic preparation of (2R, 3S) -p-methylsulfonylphenylserine 山东国邦药业有限公司 2022-07-12 CN disclosed
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-17 US disclosed
US-11046653-B2 2021-06-29 US disclosed
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
EP-3715342-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-30 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-11046653-B2 CYP4F11, NOTUM, CYP2F1 ITGB1 2474/4885ITGA4 2303/4885CA2 1479/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 ITGB1 3279/4885ITGA4 3121/4885CA2 2685/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 ITGB1 3279/4885ITGA4 3121/4885CA2 2685/4885

“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.