SCHEMBL1202987

SCHEMBL1202987

COC(=O)C1Cc2cccc(O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HSD11B1 P28845 3/20 0.41
UCHL1 P09936 1/20 0.40
NAMPT P43490 1/20 0.38
HDAC8 Q9BY41 5/20 0.38

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
SCHEMBL3697808 0.91 PTPN1 (0.53) PTPN1NR1H2NR1H3HSD11B1UCHL1
SCHEMBL21881601 0.91 PTPN1 (0.53) PTPN1NR1H2NR1H3HSD11B1UCHL1
SCHEMBL6471376 0.88 HSD11B1 (0.44) PTPN1HSD11B1UCHL1HDAC8
SCHEMBL1201488 0.87 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL6471129 0.84 PTPN1 (0.50) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL21490343 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3NAMPTHDAC8
SCHEMBL2737917 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3NAMPTHDAC8
SCHEMBL29443079 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3NAMPTHDAC8
SCHEMBL30207832 0.83 HSD11B1 (0.41) HSD11B1UCHL1NAMPT
SCHEMBL19667491 0.83 HSD11B1 (0.41) HSD11B1UCHL1NAMPT

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
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 PTPN1 3803/4885NR1H2 139/4885NR1H3 155/4885
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTPN1 4811/4885NR1H2 2095/4885NR1H3 1909/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PTPN1 4778/4885NR1H2 2228/4885NR1H3 1980/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTPN1 4811/4885NR1H2 2095/4885NR1H3 1909/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTPN1 4811/4885NR1H2 2095/4885NR1H3 1909/4885

“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.