SCHEMBL726822

SCHEMBL726822

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
DPP4 P27487 16/20 0.42
CYP3A4 P08684 2/20 0.40
DPP7 Q9UHL4 4/20 0.40
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
GABRR1 P24046 2/20 0.38
LMNA P02545 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
SCHEMBL29364465 1.00 SLC22A6 (0.43) SLC22A6DPP4CYP3A4DPP7DPP8
SCHEMBL726821 1.00 SLC22A6 (0.43) SLC22A6DPP4CYP3A4DPP7DPP8
SCHEMBL9987028 0.84 DPP4 (0.44) DPP4CYP3A4DPP7DPP8
SCHEMBL28183895 0.84 DPP4 (0.49) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL9987022 0.84 DPP4 (0.44) DPP4CYP3A4DPP7DPP8
SCHEMBL6692860 0.81 DPP4 (0.43) SLC22A6DPP4DPP7DPP8DPP9
SCHEMBL29441821 0.80 DPP4 (0.55) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL3799940 0.80 DPP4 (0.41) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL3799935 0.80 DPP4 (0.41) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL10056668 0.80 CPA1 (0.49) DPP4CYP3A4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583935-A Preparation method of 4- (2, 4, 5-trifluorophenyl) -3-oxybutyrate ester 浙江工业大学 2023-01-10 CN claimed
EP-2609099-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV Limited (IN) 2013-07-03 EP claimed
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2013-06-20 US claimed
WO-2012025944-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2012-03-01 WO claimed
WO-2011040717-A2 METHOD FOR PREPARING INTERMEDIATE OF SITAGLIPTIN USING CHIRAL OXIRANE HANMI HOLDINGS CO., LTD. (KR) 2011-04-07 WO claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
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-115583935-A Preparation method of 4- (2, 4, 5-trifluorophenyl) -3-oxybutyrate ester 浙江工业大学 2023-01-10 CN disclosed
CN-115583935-A Preparation method of 4- (2, 4, 5-trifluorophenyl) -3-oxybutyrate ester 浙江工业大学 2023-01-10 CN disclosed
CN-103709170-A Medicinal crude drug for reducing blood sugar LI YOUXIANG 2014-04-09 CN disclosed
WO-2011040717-A2 METHOD FOR PREPARING INTERMEDIATE OF SITAGLIPTIN USING CHIRAL OXIRANE HANMI HOLDINGS CO., LTD. (KR) 2011-04-07 WO disclosed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO disclosed
WO-2009045507-A3 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMA (IL) 2009-06-04 WO disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 US disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 US disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 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 (2 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-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF DPP4, DPP3, DPP9 SLC22A6 677/4885DPP4 1/4885CYP3A4 20/4885
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction DPP4, DPP3, SI SLC22A6 3975/4885DPP4 1/4885CYP3A4 10/4885

“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.