Sugi Predict

Sugi Predict / Compounds / SCHEMBL1088403

SCHEMBL1088403

SCHEMBL1088403

O=CC(O)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.54
▸ CES1 P23141 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ MDM2 Q00987 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ DAO P14920 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL8633846 0.84 CES2 (0.42) CES2CES1LMNATDP1L3MBTL1
SCHEMBL30803096 0.84 CES1 (0.56) CES2CES1LMNATDP1L3MBTL1
SCHEMBL45241 0.80 LMNA (0.52) CES2CES1LMNATDP1L3MBTL1
SCHEMBL28060783 0.79 TDP1 (0.52) CES2CES1LMNATDP1L3MBTL1
SCHEMBL27508742 0.79 ALDH1A1 (0.44) CES2CES1LMNATDP1L3MBTL1
Formic Acid SCHEMBL28929639 0.77 CES2 (0.54) CES2CES1LMNATDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL28060786 0.77 TDP1 (0.50) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9435040 0.77 LMNA (0.48) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9328660 0.77 CES1 (0.48) CES2CES1LMNATDP1L3MBTL1
SCHEMBL28303311 0.77 CES2 (0.48) CES2CES1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028751-A1 ANTI-MICROBIAL TIME CARD ROBBINS GLENN 2009-01-29 — — US claimed
CN-109438431-B Preparation method of lamivudine 武汉工程大学 2022-01-11 — — CN disclosed
US-8354546-B2 Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes Vertichem Corporation (CA) 2013-01-15 — — US disclosed
US-20120157693-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2012-06-21 — — US disclosed
US-8153416-B2 Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes using enzymatic resolution THESIS CHEMISTRY, LLC (US) 2012-04-10 — — US disclosed
WO-2010068756-A2 PROCESS FOR MANUFACTURE OF OPTICALLY ACTIVE 2-(ACYLOXYMETHYL)-1, 3 OXATHIOLANES THESIS CHEMISTRY, LLC (US) 2010-06-17 — — WO disclosed
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2010-06-10 — — US disclosed
US-20090028751-A1 ANTI-MICROBIAL TIME CARD ROBBINS GLENN 2009-01-29 — — US disclosed
EP-1074179-B1 Microbicidal active ingredients CIBA SC HOLDING AG (CH) 2005-04-20 — — EP disclosed
US-20020128522-A1 Process for the preparation of 4,4' -dihalogen-o-hydroxydiphenyl compounds TEODORO ARMANDO DI (DE) 2002-09-12 — — US disclosed
US-6346260-B1 HETEROCYCLIC ALKYLENEDIONE PHENOLS AND ALKYLENEDIONE PHENYL PHENOL CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-12 — — US disclosed
US-6346260-B1 HETEROCYCLIC ALKYLENEDIONE PHENOLS AND ALKYLENEDIONE PHENYL PHENOL CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-12 — — US disclosed
CN-1321142-A Process for preparation of 4,4'-dihalo-o-hydroxydiphenyl compounds CIBA SPECIALTY CHEMICLAS HOLDI (CH) 2001-11-07 — — CN disclosed
EP-1119540-A1 PROCESS FOR THE PREPARATION OF 4,4'-DIHALOGEN-O-HYDROXYDIPHENYL COMPOUNDS Ciba SC Holding AG (CH) 2001-08-01 — — EP disclosed
EP-1074179-A3 Microbicidal active ingredients Ciba SC Holding AG (CH) 2001-04-11 — — EP disclosed
EP-1074179-A2 Microbicidal active ingredients Ciba SC Holding AG (CH) 2001-02-07 — — EP disclosed
EP-1074179-A2 Microbicidal active ingredients Ciba SC Holding AG (CH) 2001-02-07 — — EP disclosed
WO-2000020366-A1 PROCESS FOR THE PREPARATION OF 4,4'-DIHALOGEN-O-HYDROXYDIPHENYL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-04-13 — — WO disclosed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO disclosed
US-4048306-A ANTIBACTERIAL BOEHRINGER INGELHEIM GMBH (DT) 1977-09-13 — — US 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-20120157693-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes APRT, TYMP, PNP CES2 241/4885CES1 258/4885LMNA 3815/4885
US-20020128522-A1 Process for the preparation of 4,4' -dihalogen-o-hydroxydiphenyl compounds DDT, CYP2F1, CYP4X1 CES2 639/4885CES1 453/4885LMNA 4285/4885
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes APRT, TYMP, PNP CES2 241/4885CES1 258/4885LMNA 3815/4885

“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.