SCHEMBL887447

SCHEMBL887447

CC(C)(C)OC(=O)/N=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MIF P14174 1/20 0.43
PLA2G7 Q13093 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESRRG P62508 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL10056240 1.00 MAPT (0.44) MAPTMIFPLA2G7RAB9ANPC1
SCHEMBL3462265 1.00 MAPT (0.44) MAPTMIFPLA2G7RAB9ANPC1
SCHEMBL29219514 0.84 MIF (0.45) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL27959813 0.83 CYP2C19 (0.39) MAPTPLA2G7RAB9ANPC1SMN1; SMN2
SCHEMBL29219426 0.83 MIF (0.44) MAPTMIFPLA2G7RAB9ANPC1
SCHEMBL29846226 0.83 MIF (0.44) MAPTMIFPLA2G7RAB9ANPC1
SCHEMBL29219498 0.83 NPC1 (0.61) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL29219460 0.83 CA2 (0.48) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL20521947 0.83 MIF (0.44) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL17302200 0.83 NPC1 (0.61) MAPTMIFRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845288-B Asymmetric synthesis method of chiral beta-amino aldehyde compound 浙江工业大学 2022-07-19 CN disclosed
WO-2021021699-A1 TARGETED NITROXIDE COMPOUNDS AND THEIR USE IN TREATING FERROPTOSIS-RELATED DISEASES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-02-04 WO disclosed
EP-2861559-B1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2020-09-16 EP disclosed
CN-110845288-A Asymmetric synthesis method of chiral β -amino aldehyde compound 浙江工业大学 2020-02-28 CN disclosed
US-10259784-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2019-04-16 US disclosed
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2017-11-30 US disclosed
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2017-11-30 US disclosed
US-20170283411-A1 Optically Active a-Trifluoromethyl-B-Amino Acid Derivative Production Method MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-10-05 US disclosed
US-9732034-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2017-08-15 US disclosed
US-9732034-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2017-08-15 US disclosed
EP-2233468-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST Nissan Chemical Industries, Ltd. (JP) 2010-09-29 EP disclosed
EP-2233468-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST Nissan Chemical Industries, Ltd. (JP) 2010-09-29 EP disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP disclosed
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN disclosed
WO-2009041919-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 WO disclosed
WO-2008121076-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US 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-10259784-B2 Method and catalyst for synthesising aziridine ITPA, PPA1, PPIP5K2 MAPT 4716/4885MIF 2973/4885PLA2G7 460/4885
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 MAPT 3880/4885MIF 982/4885PLA2G7 3852/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 MAPT 1941/4885MIF 4743/4885PLA2G7 662/4885
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 MAPT 4716/4885MIF 2973/4885PLA2G7 460/4885
US-20170283411-A1 Optically Active a-Trifluoromethyl-B-Amino Acid Derivative Production Method BCAT1, BCAT2, ALAD MAPT 2460/4885MIF 4192/4885PLA2G7 870/4885

“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.