SCHEMBL3368077

SCHEMBL3368077

CCOC(=O)CCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TRPA1 O75762 1/20 0.52
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL8165697 0.86 CYP1A2 (0.57) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL1908800 0.85 CYP1A2 (0.55) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL1428085 0.84 CYP1A2 (0.48) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL6329652 0.83 GAA (0.52) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL15183506 0.83 CYP1A2 (0.53) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL12561116 0.83 GAA (0.54) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL10250453 0.83 CYP1A2 (0.53) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL12933282 0.83 CYP1A2 (0.53) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL15183507 0.83 CYP1A2 (0.53) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL15183505 0.83 CYP1A2 (0.53) ALDH1A1TRPA1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN claimed
US-12630498-B2 Arylamides and methods of use thereof GENZYME CORPORATION (US) 2026-05-19 US disclosed
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
CN-111148739-B Cyclic peptide antibiotics 豪夫迈·罗氏有限公司 2025-06-03 CN disclosed
US-12269832-B2 Lithium borate compound, additive for lithium secondary battery, non-aqueous electrolyte solution for lithium secondary battery, lithium secondary battery precursor, and lithium secondary battery and method of producing the same MITSUI CHEMICALS, INC. (JP) 2025-04-08 US disclosed
EP-3828188-B1 LITHIUM BORATE COMPOUND, ADDITIVE FOR LITHIUM SECONDARY CELL, NONAQUEOUS LIQUID ELECTROLYTE FOR LITHIUM SECONDARY CELL, LITHIUM SECONDARY CELL PRECURSOR, AND LITHIUM SECONDARY CELL AND METHOD FOR MANUFACTURING SAME MITSUI CHEMICALS INC (JP) 2024-11-13 EP disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
CN-117417355-A Fused heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-01-19 CN disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 WO disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
EP-1606258-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-12-21 EP disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
WO-2004083182-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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 (10 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-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4709/4885TRPA1 4840/4885GAA 1678/4885
US-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 2916/4885TRPA1 2526/4885GAA 49/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 ALDH1A1 4610/4885TRPA1 4691/4885GAA 1283/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ALDH1A1 4861/4885TRPA1 4574/4885GAA 4203/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885TRPA1 3806/4885GAA 4203/4885
US-12269832-B2 Lithium borate compound, additive for lithium secondary battery, non-aqueous electrolyte solution for lithium secondary battery, lithium secondary battery precursor, and lithium secondary battery and method of producing the same SLC9B2, LDHB, SLC26A3 ALDH1A1 1671/4885TRPA1 980/4885GAA 733/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 3363/4885TRPA1 2516/4885GAA 47/4885
US-12630498-B2 Arylamides and methods of use thereof CFTR, CLIC1, CLCN2 ALDH1A1 775/4885TRPA1 405/4885GAA 642/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR ALDH1A1 3842/4885TRPA1 2245/4885GAA 894/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ALDH1A1 2528/4885TRPA1 1955/4885GAA 4845/4885

“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.