SCHEMBL2436746

SCHEMBL2436746

CC[C@H](CO)ONc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.35
KLK7 P49862 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2948740 1.00 MAPT (0.39) MAPTMEN1KMT2ATRPA1LMNA
SCHEMBL812348 0.86 HPGD (0.37) MAPTMEN1KMT2AHPGDGAA
SCHEMBL809579 0.86 HPGD (0.37) MAPTMEN1KMT2AHPGDGAA
SCHEMBL812430 0.83 ALDH1A1 (0.40) MAPTMEN1KMT2AGAANPSR1
SCHEMBL809526 0.83 ALDH1A1 (0.40) MAPTMEN1KMT2AGAANPSR1
SCHEMBL809636 0.80 TRPA1 (0.43) MAPTMEN1KMT2ATRPA1ALDH1A1
SCHEMBL812292 0.80 TRPA1 (0.43) MAPTMEN1KMT2ATRPA1ALDH1A1
SCHEMBL2437063 0.77 CYP2C19 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL2437058 0.77 CYP2C19 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL809522 0.77 TDP1 (0.40) MAPTTRPA1LMNAHPGDGAA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 US disclosed
US-7767860-B2 Substituted amino alcohols AUSPEX PHARMACEUTICALS, INC (US) 2010-08-03 US disclosed
US-7767860-B2 Substituted amino alcohols AUSPEX PHARMACEUTICALS, INC (US) 2010-08-03 US disclosed
US-7767860-B2 Substituted amino alcohols AUSPEX PHARMACEUTICALS, INC (US) 2010-08-03 US disclosed
WO-2009032843-A2 DEUTERATED ETHAMBUTOLS AND THEIR USE AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 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 (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-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS GOT1, AADAT, ADH1A MAPT 2261/4885MEN1 3270/4885KMT2A 2383/4885
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO MAPT 3985/4885MEN1 4298/4885KMT2A 1701/4885
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 MAPT 4747/4885MEN1 4340/4885KMT2A 1871/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 MAPT 4747/4885MEN1 4340/4885KMT2A 1871/4885

“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.