SCHEMBL2433802

SCHEMBL2433802

CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.48
▸ PPARG P37231 8/20 0.48
▸ CTSK P43235 6/20 0.48
▸ CTSS P25774 5/20 0.48
▸ ACE P12821 1/20 0.47
▸ PPARD Q03181 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ FOLH1 Q04609 2/20 0.43

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
SCHEMBL6121310 1.00 PPARA (0.48) PPARAPPARGCTSKCTSSACE
SCHEMBL12436316 1.00 PPARA (0.48) PPARAPPARGCTSKCTSSACE
SCHEMBL3624029 0.90 CTSK (0.50) PPARAPPARGCTSKCTSSACE
SCHEMBL3656517 0.90 CTSK (0.50) PPARAPPARGCTSKCTSSACE
SCHEMBL1318658 0.88 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL1324835 0.88 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL2769978 0.88 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL15033871 0.88 CTSK (0.46) PPARAPPARGCTSKCTSSACE
SCHEMBL14288950 0.88 CTSK (0.46) PPARAPPARGCTSKCTSSACE
SCHEMBL31085224 0.88 CTSK (0.48) PPARAPPARGCTSKCTSSACE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 — — CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 — — US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 — — US disclosed
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION 2018-04-12 — — US disclosed
US-9802957-B2 Processes of preparing a JAK1 inhibitor and new forms thereto INCYTE CORPORATION (US) 2017-10-31 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
US-20150344497-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO INCYTE CORPORATION (US) 2015-12-03 — — US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — 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 (8 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PPARA 1370/4885PPARG 1515/4885CTSK 2765/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PPARA 1370/4885PPARG 1515/4885CTSK 2765/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PPARA 1370/4885PPARG 1515/4885CTSK 2765/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PPARA 1370/4885PPARG 1515/4885CTSK 2765/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 PPARA 1022/4885PPARG 2752/4885CTSK 3982/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 PPARA 1370/4885PPARG 1515/4885CTSK 2765/4885
US-20180099978-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO JAK1, JAK2, JAK3 PPARA 3453/4885PPARG 3514/4885CTSK 1824/4885
US-20150344497-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR AND NEW FORMS THERETO JAK1, JAK2, JAK3 PPARA 3453/4885PPARG 3514/4885CTSK 1824/4885

“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.

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