SCHEMBL3166465

SCHEMBL3166465

CC1=CCC(C)(C(=O)O)O1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PSEN1 P49768 3/20 0.31
LMNA P02545 1/20 0.31
FFAR3 O14843 1/20 0.31

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
SCHEMBL11737724 0.82 PKM (0.30)
SCHEMBL7512602 0.77
SCHEMBL28064595 0.75 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8629829 0.72
SCHEMBL5736042 0.72 LMNA (0.39) PTGS2TSHRLMNA
SCHEMBL9147377 0.72 AKR1B1 (0.32)
SCHEMBL1176805 0.71
SCHEMBL183024 0.69 ALDH1A1 (0.31)
SCHEMBL11724427 0.67 ALOX15 (0.30)
SCHEMBL3971345 0.67 HPGD (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299353-A A kind of preparation method of 5- formic acid ester group furan compound 中国科学院宁波材料技术与工程研究所 2018-07-20 CN claimed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
CN-113715193-B Furanoic acid polymer preforms, containers, and processing 可口可乐公司 2024-06-04 CN disclosed
CN-108299353-A A kind of preparation method of 5- formic acid ester group furan compound 中国科学院宁波材料技术与工程研究所 2018-07-20 CN disclosed
CN-108299351-A Preparation method of 2, 5-disubstituted furan compound 中国科学院宁波材料技术与工程研究所 2018-07-20 CN disclosed
EP-3143068-B1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL AND FURANDICARBOXYLIC ACID MOTIFS ROQUETTE FRERES (FR) 2018-05-02 EP disclosed
EP-3143068-A1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL AND FURANDICARBOXYLIC ACID MOTIFS Roquette Frères (FR) 2017-03-22 EP disclosed
EP-0482433-B1 Wood preserving agents containing polymeric nitrogen compounds and metal fixing acids WOLMAN GMBH DR (DE) 1995-01-25 EP disclosed
US-5186947-A Copper and zinc compounds, a metal fixing acid, and a polyethylenimine washout reducing compound DR. WOLMAN GMBH (DE) 1993-02-16 US disclosed
EP-0482433-A1 Wood preserving agents containing polymeric nitrogen compounds and metal fixing acids Dr. Wolman GmbH (DE) 1992-04-29 EP disclosed
CN-1060469-A Process for preparing cephalosporin derivatives BEECHAM GROUP PLC (GB) 1992-04-22 CN disclosed
US-4013684-A PREPARATION OF 2,5-DIMETHYLFURAN-3-CARBOXYLIC AMIDES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-22 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 (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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ PTGS1 637/4885PTGS2 1315/4885CYP1A2 2704/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE PTGS1 424/4885PTGS2 1096/4885CYP1A2 3227/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ PTGS1 637/4885PTGS2 1315/4885CYP1A2 2704/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ PTGS1 637/4885PTGS2 1315/4885CYP1A2 2704/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ PTGS1 637/4885PTGS2 1315/4885CYP1A2 2704/4885

“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.