Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sitagliptin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 20/20 | 1.00 |
| ▸ | DPP8 | Q6V1X1 | 12/20 | 1.00 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.98 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.98 |
| ▸ | ACE | P12821 | 1/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
| ▸ | FAP | Q12884 | 1/20 | 0.98 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Sitagliptin SCHEMBL1533793 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL31382815 | 0.99 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL18131636 | 0.99 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1289311 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL31513245 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL29365085 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL17783 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL19520418 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL174489 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL29421658 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2600888-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | Cadila Pharmaceuticals Ltd. (IN) | 2013-06-12 | — | — | EP | claimed |
| WO-2012017391-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | CADILA PHARMACEUTICALS LIMITED (IN) | 2012-02-09 | — | — | WO | claimed |
| CN-113149991-A | Synthesis method of sitagliptin free base and sitagliptin phosphate monohydrate | 浙江美诺华药物化学有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-2343973-B1 | Prodrugs of Sitagliptin | CADILA PHARMACEUTICALS LTD (IN) | 2016-02-17 | — | — | EP | disclosed |
| US-9029567-B2 | Hypoglycemic compounds | CADILA PHARMACEUTICALS LIMITED (IN) | 2015-05-12 | — | — | US | disclosed |
| EP-2769978-A1 | saxagliptin derivatives | Cadila Pharmaceuticals Limited (IN) | 2014-08-27 | — | — | EP | disclosed |
| WO-2014086325-A1 | A METHOD OF PREPARING 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID DERIVATIVES | ZENTIVA, K.S. (CZ) | 2014-06-12 | — | — | WO | disclosed |
| US-20140045771-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS | Cadila Corporated Campus (IN) | 2014-02-13 | — | — | US | disclosed |
| US-8563517-B2 | Dipeptidyl peptidase IV (DP-IV) compounds | CADILA PHARMACEUTICALS LIMITED (IN) | 2013-10-22 | — | — | US | disclosed |
| US-20130150578-A1 | NOVEL HYPOGLYCEMIC COMPOUNDS | CADILA PHARMACEUTICALS LIMITED (IN) | 2013-06-13 | — | — | US | disclosed |
| EP-2600888-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | Cadila Pharmaceuticals Ltd. (IN) | 2013-06-12 | — | — | EP | disclosed |
| US-20130137852-A1 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | Cadila Corporate Campus (IN) | 2013-05-30 | — | — | US | disclosed |
| EP-2555617-A1 | NOVEL HYPOGLYCEMIC COMPOUNDS | Cadila Pharmaceuticals Limited (IN) | 2013-02-13 | — | — | 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 |
| WO-2012017391-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | CADILA PHARMACEUTICALS LIMITED (IN) | 2012-02-09 | — | — | WO | disclosed |
| WO-2011125011-A1 | NOVEL HYPOGLYCEMIC COMPOUNDS | CADILA PHARMACEUTICALS LIMITED (IN) | 2011-10-13 | — | — | WO | disclosed |
| US-20110183919-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS | CADILA PHARMACEUTICALS LTD. (IN) | 2011-07-28 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140045771-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS | DPP4, DPP3, DPP7 | DPP4 1/4885DPP8 6/4885DPP9 4/4885 |
| US-20130137852-A1 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | DPP4, DPP7, DPP3 | DPP4 1/4885DPP8 5/4885DPP9 4/4885 |
| US-20130150578-A1 | NOVEL HYPOGLYCEMIC COMPOUNDS | GLP1R, GPR119, IAPP | DPP4 10/4885DPP8 25/4885DPP9 20/4885 |
| US-20110183919-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS | DPP4, DPP3, DPP7 | DPP4 1/4885DPP8 6/4885DPP9 4/4885 |
| US-20100280245-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES | NR4A3, GRIA3, NR2C2 | DPP4 3380/4885DPP8 3630/4885DPP9 4560/4885 |
“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.