SCHEMBL1644943

SCHEMBL1644943

CCOC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP7 Q9UHL4 2/20 0.48
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
CYP3A4 P08684 2/20 0.45

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
SCHEMBL3992304 1.00 DPP4 (0.51) DPP4DPP9DPP7FAPDPP8
SCHEMBL25663565 1.00 DPP4 (0.51) DPP4DPP9DPP7FAPDPP8
SCHEMBL3985105 1.00 DPP4 (0.51) DPP4DPP9DPP7FAPDPP8
SCHEMBL19510002 0.86 DPP4 (0.47) DPP4DPP7DPP8
SCHEMBL18752140 0.86 DPP4 (0.47) DPP4DPP7DPP8
SCHEMBL28261299 0.86 DPP4 (0.47) DPP4DPP9DPP7FAPDPP8
SCHEMBL743991 0.85 DPP4 (0.53) DPP4DPP7DPP8CYP3A4
SCHEMBL571909 0.85 DPP4 (0.53) DPP4DPP7DPP8CYP3A4
SCHEMBL29619671 0.85 DPP4 (0.53) DPP4DPP7DPP8CYP3A4
SCHEMBL743042 0.85 DPP4 (0.53) DPP4DPP7DPP8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891838-B Alkene reductase mutant, composition, biological material and application thereof 瑞博(苏州)制药有限公司 2023-11-28 CN disclosed
CN-116891838-A Alkene reductase mutant, composition, biological material and application thereof 瑞博(苏州)制药有限公司 2023-10-17 CN disclosed
EP-3156391-B1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD ZHEJIANG HUAHAI PHARM CO LTD (CN) 2020-09-02 EP 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
US-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2017-10-26 US disclosed
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP disclosed
EP-3156391-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2017-04-19 EP disclosed
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US disclosed
WO-2013114173-A1 A NOVEL PROCESS FOR THE PREPARATION OF SITAGLIPTIN SMILAX LABORATORIES LIMITED (IN) 2013-08-08 WO disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 EP disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 DPP4 1/4885DPP9 4/4885DPP7 2/4885
US-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD DPP4, DPP7, SI DPP4 1/4885DPP9 4/4885DPP7 2/4885
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO DPP4 20/4885DPP9 184/4885DPP7 170/4885
US-10189760-B2 Method for preparing sitagliptin intermediate via asymmetrical reduction method DPP4, DPP7, SI DPP4 1/4885DPP9 4/4885DPP7 2/4885

“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.