Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dapansutrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Dapansutrile SCHEMBL9934796 | 0.97 | — | — | |
| SCHEMBL14325274 | 0.81 | — | — | |
| SCHEMBL31390822 | 0.79 | NLRP3 (0.68) | — | |
| Dapansutrile SCHEMBL20528619 | 0.79 | — | — | |
| SCHEMBL21616866 | 0.77 | NLRP3 (0.65) | — | |
| SCHEMBL18660481 | 0.77 | NLRP3 (0.65) | — | |
| SCHEMBL18660477 | 0.77 | NLRP3 (0.65) | — | |
| SCHEMBL21616867 | 0.77 | NLRP3 (0.65) | — | |
| SCHEMBL9428536 | 0.77 | — | — | |
| Dapansutrile SCHEMBL11291946 | 0.74 | NLRP3 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11229620-B2 | 3-methanesulfonylpropionitrile for treating inflammation and/or pain | OLATEC THERAPEUTICS LLC (US) | 2022-01-25 | — | — | US | disclosed |
| US-20200237706-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND/OR PAIN | OLATEC THERAPEUTICS, INC. | 2020-07-30 | — | — | US | disclosed |
| US-20190133988-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND/OR PAIN | OLATEC THERAPEUTICS, INC. | 2019-05-09 | — | — | US | disclosed |
| US-10080735-B2 | 3-methanesulfonylpropionitrile for treating inflammation and/or pain | OLATEC THERAPEUTICS LLC (US) | 2018-09-25 | — | — | US | disclosed |
| US-20180125807-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND/OR PAIN | OLATEC THERAPEUTICS, INC. | 2018-05-10 | — | — | US | disclosed |
| US-9770428-B2 | 3-methanesulfonylpropionitrile for treating inflammation and pain | OLATEC THERAPEUTICS LLC (US) | 2017-09-26 | — | — | US | disclosed |
| US-20170119725-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC THERAPEUTICS, INC. | 2017-05-04 | — | — | US | disclosed |
| EP-2651407-B1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC IND LLC (US) | 2016-12-21 | — | — | EP | disclosed |
| US-9492420-B2 | 3-methanesulfonylpropionitrile for treating inflammation and pain | OLATEC THERAPEUTICS LLC (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150231106-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC THERAPEUTICS, INC. | 2015-08-20 | — | — | US | disclosed |
| US-8975297-B2 | 3-methanesulfonylpropionitrile for treating inflammation and pain | OLATEC INDUSTRIES LLC (US) | 2015-03-10 | — | — | US | disclosed |
| US-8829046-B2 | 3-methanesulfonylpropionitrile for treating inflammation and pain | OLATEC INDUSTRIES LLC (US) | 2014-09-09 | — | — | US | disclosed |
| US-20140228433-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC INDUSTRIES LLC (US) | 2014-08-14 | — | — | US | disclosed |
| EP-2651407-A2 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | Olatec Industries LLC (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20130172410-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC INDUSTRIES LLC (US) | 2013-07-04 | — | — | US | disclosed |
| US-8476316-B2 | 3-methanesulfonylpropionitrile for treating inflammation and pain | OLATEC INDUSTRIES LLC (US) | 2013-07-02 | — | — | US | disclosed |
| US-20120157524-A1 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC THERAPEUTICS, INC. | 2012-06-21 | — | — | US | disclosed |
| WO-2012082718-A2 | 3-METHANESULFONYLPROPIONITRILE FOR TREATING INFLAMMATION AND PAIN | OLATEC INDUSTRIES LLC (US) | 2012-06-21 | — | — | WO | disclosed |