SCHEMBL2859258

SCHEMBL2859258

COC(=O)/C=C(/Cc1cc(F)c(F)cc1F)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 2/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
TSHR P16473 2/20 0.31
RORC P51449 1/20 0.31
BDKRB1 P46663 1/20 0.30

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
SCHEMBL29738304 1.00 SMN1; SMN2 (0.38) SMN1; SMN2DPP4HDAC1HDAC8MTNR1A
SCHEMBL28674890 1.00 SMN1; SMN2 (0.38) SMN1; SMN2DPP4HDAC1HDAC8MTNR1A
SCHEMBL25634556 0.88 NPSR1 (0.34) SMN1; SMN2DPP4HDAC1HDAC8TSHR
SCHEMBL29738303 0.88 NPSR1 (0.34) SMN1; SMN2DPP4HDAC1HDAC8TSHR
SCHEMBL31011123 0.87 DPP4 (0.33) SMN1; SMN2DPP4HDAC1HDAC8
SCHEMBL13780954 0.84 DPP4 (0.36) SMN1; SMN2DPP4HDAC1HDAC8DGAT2
SCHEMBL28761633 0.83 DPP4 (0.36) SMN1; SMN2DPP4HDAC1HDAC8DGAT2
SCHEMBL30136598 0.83 MTNR1A (0.38) SMN1; SMN2DPP4MTNR1AMTNR1BRORC
SCHEMBL2853339 0.83 MTNR1A (0.38) SMN1; SMN2DPP4MTNR1AMTNR1BRORC
SCHEMBL2853346 0.83 MTNR1A (0.38) SMN1; SMN2DPP4MTNR1AMTNR1BRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381772-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST INC (US) 2016-08-24 EP claimed
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2023-06-08 US disclosed
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2023-06-08 US disclosed
CN-113636950-B Preparation method of chiral 4-aryl-beta-amino acid derivative 浙江医药股份有限公司新昌制药厂 2023-01-17 CN disclosed
WO-2022188501-A1 METHOD FOR RECYCLING DEGRADED WASTE OF ACETYL MELDRUM'S ACID DERIVATIVE 台州市生物医化产业研究院有限公司 2022-09-15 WO disclosed
CN-114644568-A Purification method of sitagliptin intermediate 浙江医药股份有限公司新昌制药厂 2022-06-21 CN disclosed
CN-113636950-A Preparation method of chiral 4-aryl-beta-amino acid derivative 浙江医药股份有限公司新昌制药厂 2021-11-12 CN disclosed
US-10189760-B2 Method for preparing sitagliptin intermediate via asymmetrical reduction method ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-01-29 US disclosed
US-9873651-B2 2018-01-23 US disclosed
US-9873651-B2 2018-01-23 US disclosed
US-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2017-10-26 US disclosed
EP-3156391-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2017-04-19 EP disclosed
EP-2381772-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST INC (US) 2016-08-24 EP disclosed
US-8278486-B2 Process and intermediates for the preparation of N-acylated-4-aryl beta-amino acid derivatives CHIRAL QUEST, INC. (US) 2012-10-02 US disclosed
US-8278486-B2 Process and intermediates for the preparation of N-acylated-4-aryl beta-amino acid derivatives CHIRAL QUEST, INC. (US) 2012-10-02 US disclosed
US-8278486-B2 Process and intermediates for the preparation of N-acylated-4-aryl beta-amino acid derivatives CHIRAL QUEST, INC. (US) 2012-10-02 US disclosed
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. 2010-11-04 US disclosed
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. 2010-11-04 US disclosed
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. 2010-11-04 US disclosed
WO-2010078440-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. (US) 2010-07-08 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-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ENPEP, BCAT2, BCAT1 SMN1; SMN2 3645/4885DPP4 330/4885HDAC1 3683/4885
US-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD DPP4, DPP7, SI SMN1; SMN2 1689/4885DPP4 1/4885HDAC1 695/4885
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES NR4A3, GRIA3, NR2C2 SMN1; SMN2 3062/4885DPP4 3380/4885HDAC1 601/4885
US-10189760-B2 Method for preparing sitagliptin intermediate via asymmetrical reduction method DPP4, DPP7, SI SMN1; SMN2 1689/4885DPP4 1/4885HDAC1 695/4885

“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.