Sugi Predict

Sugi Predict / Compounds / SCHEMBL705582

SCHEMBL705582

SCHEMBL705582

CC(C)(C)OC(=O)N1CCCC1(C)CO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ CTSK P43235 1/20 0.40
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ EPHX1 P07099 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL8950858 1.00 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL15425362 1.00 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL20399337 0.95 CTSK (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL21530335 0.95 CTSK (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL21530334 0.95 CTSK (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL17818932 0.90 USP2 (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL27092782 0.89 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL12424303 0.89 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL10202327 0.89 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL6922182 0.86 GRIN2B (0.43) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079960-A Alkynyl quinazoline compounds — 2026-05-26 — — CN disclosed
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 — — EP disclosed
WO-2025096637-A1 SUBSTITUTED ARYL SULFONAMIDES FOR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2025-05-08 — — WO disclosed
CN-119390683-A Alkynyl quinazoline compounds 黑钻治疗公司 2025-02-07 — — CN disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 — — WO disclosed
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 — — US disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
EP-4324835-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-02-21 — — EP disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
CN-116997549-A Pyrrolo [3,2-C ] pyridin-4-one derivatives for the treatment of cancer 蝎子疗法股份有限公司 2023-11-03 — — CN disclosed
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 — — EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 — — WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US 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 (7 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 GRIN2B 3811/4885GRIN2C 4455/4885CTSK 4186/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GRIN2B 3759/4885GRIN2C 4378/4885CTSK 4330/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B GRIN2B 1838/4885GRIN2C 2348/4885CTSK 776/4885
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 GRIN2B 872/4885GRIN2C 1124/4885CTSK 3488/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GRIN2B 3900/4885GRIN2C 4510/4885CTSK 4178/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GRIN2B 4488/4885GRIN2C 3669/4885CTSK 2059/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GRIN2B 4488/4885GRIN2C 3669/4885CTSK 2059/4885

“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.