SCHEMBL5865405

SCHEMBL5865405

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H]1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ACE P12821 2/20 0.50
KLK5 Q9Y337 4/20 0.48
KLK7 P49862 4/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2079109 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL4974304 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL2983027 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL496136 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL7438571 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL1104909 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL2983024 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL639229 1.00 ATM (0.54) ATMCTSSCTSKCTSLCTSB
Butylbenzyl SCHEMBL8490527 0.91 CTSK (0.50) ATMCTSSCTSKCTSLCTSB
Butylbenzyl SCHEMBL8487457 0.91 CTSK (0.50) ATMCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220417-A1 Processes for preparation of n-protected-beta-amino alcohols and n-protected-beta-amino epoxides AJINOMOTO CO., INC. (JP) 2004-11-04 US claimed
EP-1215209-B1 Method for the production of a crystalline epoxide AJINOMOTO KK (JP) 2004-08-25 EP claimed
US-6764545-B2 ADDING WATER TO A SOLUTION OF THE EPOXIDE CRYSTAL, (2R,3S) OR (2R,3S)-3-TERT-BUTOXYCARBONYLAMINO-1,2-EPOXY-4-PHENYLBUTANE IN A POLAR SOLVENT TO ALLOW CRYSTALLIZATION; COMPOUND IS AN HIV PROTEASE INHIBITOR INTERMEDIATE AJINOMOTO CO., INC. (JP) 2004-07-20 US claimed
EP-1346979-A1 PROCESSES FOR PREPARATION OF N-PROTECTED- -AMINO ALCOHOLS AND N-PROTECTED- -AMINO EPOXIDES Ajinomoto Co., Inc. (JP) 2003-09-24 EP claimed
US-20020087014-A1 Production method of epoxide crystal AJINOMOTO CO., INC. (JP) 2002-07-04 US claimed
EP-1215209-A1 Method for the production of a crystalline epoxide Ajinomoto Co., Inc. (JP) 2002-06-19 EP claimed
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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20020087014-A1 Production method of epoxide crystal AJINOMOTO CO., INC. (JP) 2002-07-04 US disclosed
EP-1215209-A1 Method for the production of a crystalline epoxide Ajinomoto Co., Inc. (JP) 2002-06-19 EP disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 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 (5 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-20020087014-A1 Production method of epoxide crystal EPHX2, PTGES3, EPHX1 ATM 4683/4885CTSS 4308/4885CTSK 3995/4885
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 ATM 4561/4885CTSS 110/4885CTSK 390/4885
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, DARS1, CYP3A43 ATM 4028/4885CTSS 335/4885CTSK 709/4885
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 ATM 4408/4885CTSS 675/4885CTSK 1554/4885
US-20040220417-A1 Processes for preparation of n-protected-beta-amino alcohols and n-protected-beta-amino epoxides NPEPPS, DNPEP, ANPEP ATM 3659/4885CTSS 463/4885CTSK 1137/4885

“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.