SCHEMBL4548472

SCHEMBL4548472

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 2/20 0.39
CXCR2 P25025 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1958265 0.98 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4CXCR2ACHE
SCHEMBL502662 0.97 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4CXCR2ACHE
SCHEMBL17972852 0.84 HSD11B1 (0.35) CXCR2
SCHEMBL1743472 0.84 ADORA1 (0.38) MAPTALDH1A1HSD17B10
SCHEMBL1955758 0.83 LMNA (0.31) CXCR2
SCHEMBL8197222 0.83 LMNA (0.31) CXCR2
SCHEMBL2482088 0.83 LMNA (0.31) CXCR2
SCHEMBL2481485 0.83 LMNA (0.31) CXCR2
SCHEMBL6503256 0.83 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL12592486 0.82 ADORA1 (0.37) MAPTALDH1A1HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848607-B Novel BCL-2/BCL-XL inhibitor, pharmaceutical composition and application 长沙创新药物工业技术研究院有限公司 2023-03-17 CN disclosed
CN-111848607-A Novel BCL-2/BCL-XL inhibitor, pharmaceutical composition and application 长沙亿伦医药科技有限公司 2020-10-30 CN disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 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 (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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 SLC6A3 694/4885SLC6A2 190/4885SLC6A4 443/4885
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 SLC6A3 694/4885SLC6A2 190/4885SLC6A4 443/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 SLC6A3 651/4885SLC6A2 189/4885SLC6A4 441/4885

“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.