Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947156 | 0.89 | CASP1 (0.53) | ALDH1A1TSHRCASP1L3MBTL1 | |
| SCHEMBL9506098 | 0.88 | L3MBTL1 (0.53) | ALDH1A1TSHRCASP1L3MBTL1 | |
| SCHEMBL28516086 | 0.86 | L3MBTL1 (0.55) | ALDH1A1CASP1L3MBTL1 | |
| SCHEMBL13386604 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRKCNA5 | |
| Trifluoroacetic Acid SCHEMBL6601200 | 0.80 | CASP1 (0.57) | ALDH1A1CASP1L3MBTL1PKM | |
| SCHEMBL22728352 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRKCNA5 | |
| SCHEMBL13244744 | 0.78 | HTR1A (0.46) | ALDH1A1TSHR | |
| SCHEMBL8551251 | 0.77 | HTT (0.46) | ALDH1A1L3MBTL1 | |
| SCHEMBL20997478 | 0.77 | ALOX12 (0.54) | ALDH1A1TSHRKCNA5L3MBTL1PKM | |
| SCHEMBL1929687 | 0.77 | ALOX12 (0.54) | ALDH1A1TSHRKCNA5L3MBTL1PKM |
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 23 patents — showing the first 20. 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 |
| 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 |
| EP-0460881-B1 | Process for bicyclic beta-lactams | UNIV NOTRE DAME DU LAC (US) | 1995-11-22 | — | — | EP | disclosed |
| US-5106968-A | Antibiotics | UNIVERSITY OF NOTRE DAME DU LAC COLLEGE OF SCIENCE (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0460881-A1 | Process for bicyclic beta-lactams | THE UNIVERSITY OF NOTRE DAME DU LAC (US) | 1991-12-11 | — | — | EP | disclosed |
| US-5051502-A | Process for forming antibiotics | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1991-09-24 | — | — | US | 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 (1 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-20170183351-A1 | EXPEDIENT SYNTHESIS OF SITAGLIPTIN | DPP4, DPP7, DPP8 | ALDH1A1 1667/4885TSHR 2344/4885KCNA5 4100/4885 |
“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.