SCHEMBL3219664

SCHEMBL3219664

CC(C)(C)OC(=O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.68
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
SLC7A5 Q01650 1/20 0.43
ATM Q13315 1/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MDM2 Q00987 1/20 0.41
MIF P14174 1/20 0.40
ACE P12821 1/20 0.39
MLYCD O95822 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL548006 1.00 AAK1 (0.68) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL548007 1.00 AAK1 (0.68) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL29389786 0.92 AAK1 (0.62) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL30949483 0.92 AAK1 (0.62) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL12568248 0.92 AAK1 (0.62) AAK1ITGA4ITGB7PPARGPPARA
SCHEMBL22033186 0.92 AAK1 (0.62) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL25319120 0.91 AAK1 (0.61) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL5981707 0.91 AAK1 (0.61) AAK1ITGA4ITGB7PPARGPPARA
SCHEMBL18511393 0.91 AAK1 (0.65) AAK1ITGA4ITGB7SLC7A5ATM
SCHEMBL977220 0.91 AAK1 (0.61) AAK1ITGA4ITGB7SLC7A5ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114768866-B Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2023-10-17 CN disclosed
CN-114768866-A Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2022-07-22 CN disclosed
CN-109689651-B Novel chiral phase transfer catalyst and method for preparing alpha-amino acid by using same 莫瓦斯有限责任公司 2022-04-26 CN disclosed
CN-111574450-B Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2021-10-29 CN disclosed
CN-111574450-A Novel chiral biphenyl quaternary ammonium salt phase transfer catalyst and preparation method and application thereof 广东工业大学 2020-08-25 CN disclosed
US-10696621-B2 Chiral phase-transfer catalyst and method for preparing alpha-amino acid by using the same UNIV YEUNGNAM RES COOPERATION FOUNDATION (KR) 2020-06-30 US disclosed
US-20190292133-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING A-AMINO ACID BY USING SAME UNIV YEUNGNAM RES COOPERATION FOUNDATION (KR) 2019-09-26 US disclosed
EP-3459947-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING -AMINO ACID BY USING SAME Research Cooperation Foundation of Yeungnam University (KR) 2019-03-27 EP disclosed
EP-1854796-B1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-05-04 EP disclosed
US-8962898-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8507669-B2 Optically active dibenzazepine derivatives NIPPON SODA CO., LTD. (JP) 2013-08-13 US disclosed
US-8507669-B2 Optically active dibenzazepine derivatives NIPPON SODA CO., LTD. (JP) 2013-08-13 US disclosed
US-20130131337-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2013-05-23 US disclosed
US-8367820-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2013-02-05 US disclosed
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 US disclosed
US-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2010-02-18 US disclosed
EP-1854796-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME Kyoto University (JP) 2007-11-14 EP disclosed
WO-2003045948-A1 NOVEL PHASE TRANSFER CATALYST AND METHOD FOR PRODUCING ALPHA-AMINO ACID USING THE SAME AMINOGEN CO., LTD. (KR) 2003-06-05 WO disclosed
WO-2002083670-A1 NOVEL PHASE TRANSFER CATALYST AND METHOD FOR PRODUCING ALPHA-AMINO ACID USING THE SAME AMINOGEN CO., LTD. (KR) 2002-10-24 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-20190292133-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING A-AMINO ACID BY USING SAME BCAT1, AADAT, ATIC AAK1 267/4885ITGA4 4286/4885ITGB7 3513/4885
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES DRD1, DRD4, DRD2 AAK1 1636/4885ITGA4 2224/4885ITGB7 895/4885
US-10696621-B2 Chiral phase-transfer catalyst and method for preparing alpha-amino acid by using the same BCAT1, AADAT, CPN1 AAK1 934/4885ITGA4 4449/4885ITGB7 3602/4885
US-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF ASS1, ACSL3, AGT AAK1 180/4885ITGA4 3221/4885ITGB7 830/4885

“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.