SCHEMBL22345141

SCHEMBL22345141

CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 1.00
▸ MBOAT4 Q96T53 4/20 0.73
▸ CCR6 P51684 1/20 0.73
▸ KEAP1 Q14145 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ NFE2L2 Q16236 3/20 0.63
▸ USP7 Q93009 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ STAT3 P40763 1/20 0.63
▸ RORC P51449 1/20 0.55

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
SCHEMBL17553175 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337036 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL19380278 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL23897711 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553178 0.92 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755157 0.92 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755299 0.91 NOS2 (0.83) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337158 0.91 NOS2 (0.83) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553174 0.90 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL19380279 0.90 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551562-B2 Methods and compositions for irreversible enzyme inhibition TRITERPENOID THERAPEUTICS, INC. (US) 2026-02-17 — — US claimed
US-20250255886-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. 2025-08-14 — — US claimed
US-12370202-B2 Methods and compositions for inhibiting the NLRP3 inflammasome and/or LON protease TRITERPENOID THERAPEUTICS, INC. (US) 2025-07-29 — — US claimed
US-20220160879-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZVME INHIBITION TRITERPENOID THERAPEUTICS, INC. 2022-05-26 — — US claimed
US-20220133748-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. 2022-05-05 — — US claimed
EP-3972986-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION Triterpenoid Therapeutics, Inc. (US) 2022-03-30 — — EP claimed
EP-3956342-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE Triterpenoid Therapeutics, Inc. (US) 2022-02-23 — — EP claimed
WO-2021202547-A1 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING VIRAL INFECTION TRITERPENOID THERAPEUTICS, INC. (US) 2021-10-07 — — WO claimed
WO-2020210573-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION TRITERPENOID THERAPEUTICS, INC. (US) 2020-10-15 — — WO claimed
US-12551562-B2 Methods and compositions for irreversible enzyme inhibition TRITERPENOID THERAPEUTICS, INC. (US) 2026-02-17 — — US disclosed
US-12551562-B2 Methods and compositions for irreversible enzyme inhibition TRITERPENOID THERAPEUTICS, INC. (US) 2026-02-17 — — US disclosed
US-20250255886-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. 2025-08-14 — — US disclosed
US-20250255886-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. 2025-08-14 — — US disclosed
US-12370202-B2 Methods and compositions for inhibiting the NLRP3 inflammasome and/or LON protease TRITERPENOID THERAPEUTICS, INC. (US) 2025-07-29 — — US disclosed
WO-2020215013-A1 TOLEROGENIC DENDRITIC CELLS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2020-10-22 — — WO disclosed
WO-2020210573-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION TRITERPENOID THERAPEUTICS, INC. (US) 2020-10-15 — — WO disclosed
WO-2020210573-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION TRITERPENOID THERAPEUTICS, INC. (US) 2020-10-15 — — WO disclosed
WO-2020210573-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION TRITERPENOID THERAPEUTICS, INC. (US) 2020-10-15 — — WO disclosed
WO-2020167969-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. (US) 2020-08-20 — — WO disclosed
WO-2020167969-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE TRITERPENOID THERAPEUTICS, INC. (US) 2020-08-20 — — WO 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-12551562-B2 Methods and compositions for irreversible enzyme inhibition JMJD7, STUB1, LONP1 NOS2 2657/4885MBOAT4 3593/4885CCR6 3920/4885
US-12370202-B2 Methods and compositions for inhibiting the NLRP3 inflammasome and/or LON protease NLRP3, PYCARD, LONP1 NOS2 2290/4885MBOAT4 4266/4885CCR6 1954/4885
US-20250255886-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE NLRP3, PYCARD, LONP1 NOS2 2290/4885MBOAT4 4266/4885CCR6 1954/4885
US-20220160879-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZVME INHIBITION LONP1, KEAP1, RCE1 NOS2 4015/4885MBOAT4 2496/4885CCR6 4359/4885
US-20220133748-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE NLRP3 INFLAMMASOME AND/OR LON PROTEASE NLRP3, PYCARD, LONP1 NOS2 2290/4885MBOAT4 4266/4885CCR6 1954/4885

“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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