SCHEMBL1202127

SCHEMBL1202127

CC(C)(C)OC(=O)C1(C(=O)O)NCCc2ccc(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
LMNA P02545 1/20 0.34
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
OPRM1 P35372 4/20 0.32

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
SCHEMBL5211064 0.85 MAPK1 (0.36) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL28146558 0.80 ALDH1A1 (0.37) ESR2ALDH1A1MAPTRECQLTDP1
SCHEMBL17395273 0.79 ALDH1A1 (0.35) ESR2ALDH1A1MAPTRECQLTDP1
SCHEMBL28768517 0.78 ESR2 (0.37) ESR2NR1H2NR1H3OPRM1OPRD1
SCHEMBL30931799 0.78 PNMT (0.42) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL304611 0.71 EPHX2 (0.38) ALDH1A1RECQLCYP3A4BLMNR1H2
SCHEMBL30899459 0.71 EPHX2 (0.38) ALDH1A1RECQLCYP3A4BLMNR1H2
SCHEMBL715619 0.71 EPHX2 (0.38) ALDH1A1RECQLCYP3A4BLMNR1H2
SCHEMBL8319002 0.67 ALDH1A1 (0.43) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL4881533 0.67 KIF11 (0.35)

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 11 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-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
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 (4 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ESR2 2081/4885ALDH1A1 1717/4885MAPT 85/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ESR2 1949/4885ALDH1A1 2426/4885MAPT 102/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ESR2 2081/4885ALDH1A1 1717/4885MAPT 85/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ESR2 2081/4885ALDH1A1 1717/4885MAPT 85/4885

“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.