SCHEMBL3064783

SCHEMBL3064783

CCOC(=O)C[C@@H](O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL3064787 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1895727 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.88 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
Glycerin SCHEMBL28329026 0.85 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1427228 0.84 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9743315 0.84 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3853840 0.84 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7194339 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5453913 0.82 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27749970 0.81 LMNA (0.38) ALDH1A1LMNAKMT2AKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261251-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-14 US claimed
CN-101821404-A Microbial kinetic resolution of ethyl 3, 4-epoxybutyrate AGENCY SCIENCE TECH & RES 2010-09-01 CN claimed
EP-2179050-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE Agency for Science, Technology And Research (SG) 2010-04-28 EP claimed
WO-2009008834-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-01-15 WO claimed
CN-116904530-A Biological preparation method of atorvastatin calcium intermediate 江苏福瑞康泰药业有限公司 2023-10-20 CN disclosed
CN-115894290-A Preparation method of atorvastatin calcium intermediate (R) - (-) -4-cyano-3-hydroxy ethyl butyrate 宿迁阿尔法科技有限公司 2023-04-04 CN disclosed
US-20220098191-A1 G-A CROSSLINKING CYTOTOXIC AGENTS Pheon Therapeutics Ltd. (GB) 2022-03-31 US disclosed
EP-2462111-B1 PREPARATION OF (R)- AND (S)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND PROTECTED DERIVATIVES THEREOF ARDEA BIOSCIENCES INC (US) 2016-03-30 EP disclosed
US-8884058-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES (US) 2014-11-11 US disclosed
US-8884058-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES (US) 2014-11-11 US disclosed
CN-102295579-B Synthesis process for (R)-4-cyano-3-hydroxybutyric acid ethyl ester ANQING JINQUAN PHARM CO LTD 2014-05-21 CN disclosed
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2013-10-03 US disclosed
US-20100261251-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-14 US disclosed
US-20100261251-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-14 US disclosed
CN-101821404-A Microbial kinetic resolution of ethyl 3, 4-epoxybutyrate AGENCY SCIENCE TECH & RES 2010-09-01 CN disclosed
EP-2179050-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE Agency for Science, Technology And Research (SG) 2010-04-28 EP disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
WO-2009008834-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-01-15 WO disclosed
WO-2009008834-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-01-15 WO 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-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators HSP90AA1, HSP90AB1, HSP90AB2P MGAM 4638/4885GAA 2393/4885SI 4847/4885
US-20220098191-A1 G-A CROSSLINKING CYTOTOXIC AGENTS CCNA1, GNA15, RPS26 MGAM 4497/4885GAA 3482/4885SI 4565/4885
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE DHPS, SULT2A1, S1PR2 MGAM 4709/4885GAA 4459/4885SI 892/4885

“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.