SCHEMBL2582911

SCHEMBL2582911

CC1(C)CC[C@]2(C(=O)n3ccnc3)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 1.00
CCR6 P51684 1/20 1.00
KEAP1 Q14145 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2C9 P11712 1/20 0.74
NFE2L2 Q16236 2/20 0.71
USP7 Q93009 2/20 0.71
USP2 O75604 1/20 0.71
STAT3 P40763 1/20 0.71
RORC P51449 1/20 0.61

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
SCHEMBL27366480 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL17553226 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL91617 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL7717245 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL144428 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL25972866 0.93 NOS2 (0.86) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994632 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994634 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20128433 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL16526572 0.87 NOS2 (0.77) 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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746880-A2 METHODS OF TREATING DILATED CARDIOMYOPATHY Regencor, Inc. (US) 2026-05-27 EP claimed
EP-3452041-B1 COMPOSITIONS AND METHODS FOR ADMINISTERING PPAR-GAMMA-AGONISTS, SURFACTANT PEPTIDES AND PHOSPHOLIPIDS LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2026-01-14 EP claimed
EP-4580612-A1 USE OF NRF2 ACTIVATORS FOR THE TREATMENT OF CEREBRAL SMALL VESSEL DISEASE Institut National de la Santé et de la Recherche Médicale (FR) 2025-07-09 EP claimed
US-20250073321-A1 Modulation of Oxidative Stress and Amino Acid Metabolism for the Treatment or Prevention of Diseases and Disorders UNIV NEW YORK (US) 2025-03-06 US claimed
WO-2025024320-A2 METHODS OF TREATING DILATED CARDIOMYOPATHY REGENCOR, INC. (US) 2025-01-30 WO claimed
CN-118903154-A New use of compound CDDO-Im for preventing or treating foot-and-mouth disease 中国农业科学院兰州兽医研究所(中国动物卫生与流行病学中心兰州分中心) 2024-11-08 CN claimed
CN-118121610-A Application of CDDO-Im in preparation of drugs for preventing or treating hepatic fibrosis 西南交通大学 2024-06-04 CN claimed
EP-4373577-A1 ACTRII PROTEINS AND USES THEREOF Acceleron Pharma Inc. (US) 2024-05-29 EP claimed
EP-4351626-A2 ACTRII PROTEINS AND USES THEREOF Acceleron Pharma Inc. (US) 2024-04-17 EP claimed
EP-4351723-A2 ACTRII PROTEINS AND USES THEREOF Acceleron Pharma Inc. (US) 2024-04-17 EP claimed
EP-4073101-A1 SINGLE-ARM ACTRIIA AND ACTRIIB HETEROMULTIMERS AND METHODS FOR TREATING PULMONARY HYPERTENSION Acceleron Pharma Inc. (US) 2022-10-19 EP claimed
EP-4034168-A1 METHODS FOR DEPLETION OF DELETERIOUS MITOCHONDRIAL GENOMES University Of Massachusetts (US) 2022-08-03 EP claimed
WO-2022150590-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY HYPERTENSION ACCELERON PHARMA INC. (US) 2022-07-14 WO claimed
CN-114591418-A Threonine 166 th phosphorylation modification of PPAR gamma protein and application thereof 南京大学 2022-06-07 CN claimed
US-20220160879-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZVME INHIBITION TRITERPENOID THERAPEUTICS, INC. 2022-05-26 US claimed
US-20220096709-A1 WOUND HEALING THERAPEUTIC HYDROGELS UNIV NEW YORK (US) 2022-03-31 US claimed
EP-3972986-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZYME INHIBITION Triterpenoid Therapeutics, Inc. (US) 2022-03-30 EP claimed
US-10335420-B2 Nanoparticle-based tumor-targeted drug delivery THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 US claimed
US-20180153898-A1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2018-06-07 US claimed
US-20150133507-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS ARES TRADING S.A. (CH) 2015-05-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150133507-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING GLITAZONES AND NRF2 ACTIVATORS PPARG, PPARA, PPARD NOS2 633/4885MBOAT4 916/4885CCR6 1416/4885
US-10335420-B2 Nanoparticle-based tumor-targeted drug delivery LGMN, LAMP1, LNPEP NOS2 4488/4885MBOAT4 2276/4885CCR6 3784/4885
US-20220160879-A1 METHODS AND COMPOSITIONS FOR IRREVERSIBLE ENZVME INHIBITION LONP1, KEAP1, RCE1 NOS2 4015/4885MBOAT4 2496/4885CCR6 4359/4885

“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.