SCHEMBL897883

SCHEMBL897883

O=C(O)CC(Cc1cc(F)c(F)cc1F)NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.44
PIN1 Q13526 1/20 0.40
DPP7 Q9UHL4 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DPP9 Q86TI2 3/20 0.37
CTSA P10619 1/20 0.37

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
SCHEMBL30753564 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL743824 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL30378432 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
Tert-Butylamine SCHEMBL898670 0.94 DPP4 (0.43) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL13084120 0.89 DPP4 (0.42) DPP4DPP7DPP8CYP3A4NPC1
SCHEMBL6697319 0.88 DPP4 (0.39) DPP4PIN1DPP7CYP3A4NPC1
SCHEMBL344346 0.83 CTRB1 (0.53) DPP4PIN1
SCHEMBL344345 0.83 CTRB1 (0.53) DPP4PIN1
SCHEMBL15114869 0.82 DPP4 (0.37) DPP4DPP7DPP8CYP3A4NPC1
SCHEMBL15108794 0.82 DPP4 (0.37) DPP4DPP7DPP8CYP3A4NPC1

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
CN-118063351-B Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-06-28 CN disclosed
CN-118063351-A Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-05-24 CN disclosed
CN-117467733-B High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-03-12 CN disclosed
CN-117467733-A High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-01-30 CN disclosed
CN-113121540-B Synthesis method of sitagliptin free alkali 鲁南制药集团股份有限公司 2024-01-26 CN disclosed
CN-113121540-A Synthesis method of sitagliptin free alkali 鲁南制药集团股份有限公司 2021-07-16 CN disclosed
EP-2802554-B1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2018-04-25 EP disclosed
EP-2802554-B1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2018-04-25 EP disclosed
EP-2802554-A1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK Pharmaceuticals d.d. (SI) 2014-11-19 EP disclosed
EP-2481722-B1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP disclosed
CN-103694245-A Crude medicine for hypoglycemic medicine LI YOUXIANG 2014-04-02 CN disclosed
WO-2013104774-A1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2013-07-18 WO disclosed
WO-2013104774-A1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2013-07-18 WO disclosed
EP-2615080-A1 Preparation of Optically Pure ß-Amino Acid Type Active Pharmaceutical Ingredients and Intermediates thereof LEK Pharmaceuticals d.d. (SI) 2013-07-17 EP disclosed
EP-2615080-A1 Preparation of Optically Pure ß-Amino Acid Type Active Pharmaceutical Ingredients and Intermediates thereof LEK Pharmaceuticals d.d. (SI) 2013-07-17 EP disclosed
US-8471057-B2 Sitagliptin intermediates, preparation methods and uses thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2013-06-25 US disclosed
EP-2481722-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120178957-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2012-07-12 US disclosed
WO-2012042534-A2 PROCESSES FOR THE PREPARATION OF R-SITAGLIPTIN AND INTERMEDIATES THEREOF GLENMARK GENERICS LIMITED (IN) 2012-04-05 WO disclosed
WO-2012042534-A2 PROCESSES FOR THE PREPARATION OF R-SITAGLIPTIN AND INTERMEDIATES THEREOF GLENMARK GENERICS LIMITED (IN) 2012-04-05 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 (1 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-20120178957-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF DPP4, DPP8, DPP9 DPP4 1/4885PIN1 977/4885DPP7 4/4885

“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.