SCHEMBL6578241

SCHEMBL6578241

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
SCHEMBL14541480 1.00 EPHX1 (0.56) EPHX1CSNK1ESLC15A1ANPEPALPI
SCHEMBL996512 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528923-B1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LTD (IL) 2014-07-30 EP claimed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US claimed
US-10544157-B2 Process for preparation of Darunavir LAURUS LABS LIMITED (IN) 2020-01-28 US disclosed
US-20190144461-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2019-05-16 US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 US disclosed
US-9475821-B2 Process for preparation of Darunavir LAURUS LABS PRIVATE LIMITED (IN) 2016-10-25 US disclosed
US-9475821-B2 Process for preparation of Darunavir LAURUS LABS PRIVATE LIMITED (IN) 2016-10-25 US disclosed
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LTD. (IN) 2015-07-23 US disclosed
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LTD. (IN) 2015-07-23 US disclosed
US-8835684-B2 Preparation of 2R,3S-N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide hydrochloride and other derivatives of 2-hydroxy-1,3-diamines AMPAC FINE CHEMICALS LLC (US) 2014-09-16 US disclosed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US disclosed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US disclosed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US disclosed
WO-2011092687-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA HK LIMITED (CN) 2011-08-04 WO disclosed
EP-1029856-B1 PROCESS FOR THE PREPARATION OF (2R, 3S)-3-AMINO-1,2-OXIRANE KANEKA CORP (JP) 2004-06-16 EP disclosed
US-6348615-B2 CHEMICAL INTERMEDIATES FOR PROTEASE INHIBITORS KANEKA CORPORATION (JP) 2002-02-19 US disclosed
US-20010018532-A1 Chemical intermediates for protease inhibitors KANEKA CORPORATION 2001-08-30 US disclosed
US-6278002-B1 TREATOMG (2S,3S)-3-AMINO-1-HALO-2-HYDROXY-4-PHENYLBUTANE OR (2S,3S)-3-AMINO-4-PHENYLBUTANE-1,2-EPOXIDE WITH CARBOXYLIC ACID QUATERNARY AMMNOIUM SALT OR CARBOXYLIC ACID METAL SALT OR QUATERNARY AMMNOIUM SALT; TREATING WITH SULFONIC ACID HALIDE KANEKA CORPORATION (JP) 2001-08-21 US disclosed
EP-1029856-A1 PROCESS FOR THE PREPARATION OF (2R, 3S)-3-AMINO-1,2-OXIRANE Kaneka Corporation (JP) 2000-08-23 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 (6 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-20190144461-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 EPHX1 3938/4885CSNK1E 856/4885SLC15A1 3233/4885
US-10544157-B2 Process for preparation of Darunavir SAMHD1, CYP3A5, DARS1 EPHX1 3938/4885CSNK1E 856/4885SLC15A1 3233/4885
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, DARS1, CYP3A43 EPHX1 4112/4885CSNK1E 861/4885SLC15A1 3768/4885
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 EPHX1 3938/4885CSNK1E 856/4885SLC15A1 3233/4885
US-20010018532-A1 Chemical intermediates for protease inhibitors DNPEP, PRSS1, PREP EPHX1 646/4885CSNK1E 803/4885SLC15A1 2419/4885
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES CYP3A43, CYP3A4, DHPS EPHX1 1734/4885CSNK1E 1321/4885SLC15A1 3870/4885

“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.