Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13386605 | 0.92 | TSHR (0.46) | TSHRIDO1AGXTCTSLCTSB | |
| SCHEMBL3695345 | 0.72 | TSHR (0.43) | TSHRIDO1AGXTCTSLCTSB | |
| SCHEMBL5697583 | 0.68 | LMNA (0.51) | CA1CA2CA9SLC6A2SLC6A3 | |
| SCHEMBL1831948 | 0.68 | HIF1A (0.41) | TSHRIDO1ALDH1A1SLC6A3HIF1A | |
| Cyclohexane SCHEMBL8149682 | 0.66 | TSHR (0.83) | TSHRIDO1AGXTCA1CA2 | |
| Benzyl Carbamate SCHEMBL9673813 | 0.64 | ALDH1A1 (0.57) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL11846749 | 0.64 | HIF1A (0.41) | TSHRIDO1HTTALDH1A1SLC6A3 | |
| SCHEMBL596253 | 0.63 | HIF1A (0.39) | ALDH1A1HIF1A | |
| SCHEMBL5311581 | 0.62 | TSHR (1.00) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL27380 | 0.62 | TSHR (1.00) | TSHRIDO1AGXTALDH1A1CA1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023175492-A1 | NOVEL INTERMEDIATES AND ITS USE IN MANUFACTURING OF SITAGLIPTIN | HIKAL LIMITED (IN) | 2023-09-21 | — | — | WO | disclosed |
| WO-2019186260-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | HIKAL LIMITED (IN) | 2019-10-03 | — | — | WO | disclosed |
| US-9938282-B2 | Expedient synthesis of sitagliptin | STEREOKEM, INC. (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170183351-A1 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | STEREOKEM, INC. | 2017-06-29 | — | — | US | disclosed |
| EP-3102580-A2 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | Stereokem Inc. (USA) (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015120111-A2 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | STEREOKEM, INC. (USA) (US) | 2015-08-13 | — | — | WO | disclosed |
| EP-2331545-B1 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE&NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LTD (IN) | 2013-10-02 | — | — | EP | disclosed |
| US-8476437-B2 | Process for preparation of (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro [1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl]-l-(2,4,5-trifluorophenyl)butan-2-amine and new impurities in preparation thereof | CADILA HEALTHCARE LIMITED (IN) | 2013-07-02 | — | — | US | disclosed |
| WO-2013065066-A1 | PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE | CADILA HEALTHCARE LIMITED (IN) | 2013-05-10 | — | — | WO | disclosed |
| WO-2011142825-A2 | NOVEL SULFUR CONTAINING COMPOUNDS | DISSYMMETRIX (P) LTD. (IN) | 2011-11-17 | — | — | WO | disclosed |
| US-20110213149-A1 | PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2011-09-01 | — | — | US | disclosed |
| EP-2331545-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE&NEW IMPURITIES IN PREPARATION THEREOF | Cadila Healthcare Limited (IN) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010032264-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2010-03-25 | — | — | WO | disclosed |
| WO-2004087650-A2 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BETA-AMINO ACID AMIDE DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK & CO. INC. (US) | 2004-10-14 | — | — | WO | disclosed |
| US-4992544-A | Intermediates for b-lactam antibiotics and b-lactamase inhibitor | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0218415-B1 | PROCESS FOR INTERMEDIATES TO 1-CARBAPENEMS AND 1-CARBACEPHEMS | THE UNIVERSITY OF NOTRE DAME DU LAC (US) | 1990-08-08 | — | — | EP | disclosed |
| US-4845229-A | Process for intermediates to 1-carbapenems and 1-carbacephems | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1989-07-04 | — | — | US | disclosed |
| US-4745201-A | Process for intermediates to 1-carbapenems and 1-carbacephems | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1988-05-17 | — | — | US | disclosed |
| EP-0218415-A1 | Process for intermediates to 1-carbapenems and 1-carbacephems | THE UNIVERSITY OF NOTRE DAME DU LAC (US) | 1987-04-15 | — | — | EP | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110213149-A1 | PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | BPNT1, GART, SLC7A1 | TSHR 997/4885IDO1 1109/4885AGXT 177/4885 |
| US-20170183351-A1 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | DPP4, DPP7, DPP8 | TSHR 2344/4885IDO1 2050/4885AGXT 228/4885 |
“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.