SCHEMBL996512

SCHEMBL996512

N[C@@H](Cc1ccccc1)[C@@H](O)CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
CSNK1E P49674 1/20 0.56
SLC15A1 P46059 1/20 0.49
ANPEP P15144 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LAP3 P28838 3/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL14541149 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL5170196 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL14671509 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL7983260 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL6578241 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL14541480 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
Hydrochloric Acid SCHEMBL4977968 0.98 CSNK1E (0.54) EPHX1CSNK1ESLC15A1ANPEPALPI
Hydrochloric Acid SCHEMBL5168479 0.98 CSNK1E (0.54) EPHX1CSNK1ESLC15A1ANPEPALPI
Hydrochloric Acid SCHEMBL2232703 0.98 CSNK1E (0.54) EPHX1CSNK1ESLC15A1ANPEPALPI
Sulfuric Acid SCHEMBL5172847 0.91 CSNK1E (0.49) EPHX1CSNK1ESLC15A1ANPEPALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343290-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2014-11-20 US claimed
WO-2013014633-A1 PROCESS FOR PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2013-01-31 WO claimed
US-20110178305-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2011-07-21 US claimed
EP-2288593-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF Ranbaxy Laboratories Limited (IN) 2011-03-02 EP claimed
WO-2009136365-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-11-12 WO claimed
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP disclosed
EP-3409765-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2018-12-05 EP disclosed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP disclosed
US-9404092-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-08-02 US disclosed
US-20160160187-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-06-09 US disclosed
US-9296992-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-03-29 US disclosed
US-20150240217-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-27 US disclosed
US-20120190086-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2012-07-26 US disclosed
EP-2446025-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2012-05-02 EP disclosed
US-20110178305-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2011-07-21 US disclosed
WO-2011060302-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS AMERICAN PACIFIC CORPORATION (US) 2011-05-19 WO disclosed
EP-2288593-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF Ranbaxy Laboratories Limited (IN) 2011-03-02 EP disclosed
WO-2011005527-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2011-01-13 WO disclosed
WO-2009136365-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-11-12 WO disclosed
EP-1777213-A1 Production method of aminochlorohydrin sulfate Ajinomoto Co., Inc. (JP) 2007-04-25 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 (2 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-20110178305-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF CYP2S1, TYMS, TBXAS1 EPHX1 327/4885CSNK1E 1478/4885SLC15A1 2863/4885
US-20140343290-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT DNPEP, NSUN2, JMJD7 EPHX1 2820/4885CSNK1E 931/4885SLC15A1 3334/4885

“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.