SCHEMBL247899

SCHEMBL247899

O=CC(Cl)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PDPK1 O15530 1/20 0.32
APP P05067 2/20 0.32
MME P08473 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFE2L2 Q16236 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL20495193 1.00 CES2 (0.42) CES2CES1PDPK1APPMME
SCHEMBL17165350 0.84 PSEN1 (0.36) APPALDH1A1S1PR1S1PR3
SCHEMBL5702253 0.84 SHBG (0.46) SHBG
SCHEMBL19555328 0.84 PSEN1 (0.36) APPALDH1A1S1PR1S1PR3
SCHEMBL6182737 0.82 ALDH1A1 (0.43) AKR1C3AKR1C2ALDH1A1
SCHEMBL12492053 0.82 KDM1A (0.33)
SCHEMBL28165420 0.77 CES2 (0.43) CES2CES1PDPK1MMEAKR1C3
SCHEMBL1028130 0.76 IDO1 (0.38) CES2CES1ALDH1A1
SCHEMBL30124887 0.75 CES2 (0.50) CES2CES1PDPK1APPMME
SCHEMBL998053 0.75 CES2 (0.42) CES2CES1PDPK1MMEAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023223335-A1 A METHOD FOR PREPARING (1S)-2-CHLORO-1-(3,4-DIFLUOROPHENYL) ETHANOL AARTI PHARMALABS LIMITED (IN) 2023-11-23 WO claimed
WO-2023223335-A1 A METHOD FOR PREPARING (1S)-2-CHLORO-1-(3,4-DIFLUOROPHENYL) ETHANOL AARTI PHARMALABS LIMITED (IN) 2023-11-23 WO disclosed
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-3303267-A2 HEMOPROTEIN CATALYSTS FOR IMPROVED ENANTIOSELECTIVE ENZYMATIC SYNTHESIS OF TICAGRELOR California Institute of Technology (US) 2018-04-11 EP disclosed
WO-2016191612-A2 HEMOPROTEIN CATALYSTS FOR IMPROVED ENANTIOSELECTIVE ENZYMATIC SYNTHESIS OF TICAGRELOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-12-01 WO disclosed
EP-2588441-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR Actavis Group Ptc Ehf (IS) 2013-05-08 EP disclosed
EP-2560939-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES Actavis Group Ptc Ehf (IS) 2013-02-27 EP disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 WO disclosed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 WO disclosed
EP-2049462-A1 CHEMICAL PROCESS FOR PREPARATION OF AROMATIC CYCLOPROPANE ESTERS AND AMIDES Astra Zeneca AB (SE) 2009-04-22 EP disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2008018822-A1 CHEMICAL PROCESS FOR PREPARATION OF AROMATIC CYCLOPROPANE ESTERS AND AMIDES ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 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 (1 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-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG CES2 3468/4885CES1 1403/4885PDPK1 14/4885

“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.