Saxagliptin Anhydrous

Saxagliptin Anhydrous

SCHEMBL2742680

N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DPP4

The experimentally established mechanism targets of Saxagliptin Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 1.00
CYP3A4 P08684 2/20 1.00
DPP8 Q6V1X1 2/20 1.00
DPP9 Q86TI2 2/20 1.00

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
Saxagliptin Anhydrous SCHEMBL988028 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL882684 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL15579932 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL15752149 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL12518855 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL23752173 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL8250350 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL17131050 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL8277138 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL17168 1.00 DPP4 (1.00) DPP4CYP3A4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed
US-9133181-B2 Substituted 6-(4-hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine derivatives as kinase inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133181-B2 Substituted 6-(4-hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine derivatives as kinase inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2015-05-14 US disclosed
US-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2015-05-14 US disclosed
US-9029400-B2 5-oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI (FR) 2015-05-12 US disclosed
US-9029400-B2 5-oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI (FR) 2015-05-12 US disclosed
US-8946212-B2 Annelated N-heterocyclic sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2015-02-03 US disclosed
US-8946212-B2 Annelated N-heterocyclic sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2015-02-03 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
WO-2007045393-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (DE) 2007-04-26 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 (6 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-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS PPARA, PPARD, PPARG DPP4 334/4885CYP3A4 417/4885DPP8 710/4885
US-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K19 DPP4 373/4885CYP3A4 1640/4885DPP8 707/4885
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG DPP4 1400/4885CYP3A4 1132/4885DPP8 1602/4885
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals PPARD, PPARA, PPARG DPP4 220/4885CYP3A4 180/4885DPP8 1133/4885
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia CYP46A1, GPR119, DHCR7 DPP4 60/4885CYP3A4 311/4885DPP8 341/4885
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof GPR119, CPT1A, PC DPP4 302/4885CYP3A4 911/4885DPP8 1042/4885

“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.