SCHEMBL2232074

SCHEMBL2232074

CC(C)c1ccccc1C(C(C)C)(C(C)C)S(=O)(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 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
SCHEMBL11554600 0.71 GABRA1 (0.41) L3MBTL1ALDH1A1CYP3A4CYP2C19CA1
SCHEMBL16593970 0.71 GABRA1 (0.41) L3MBTL1ALDH1A1CYP3A4CYP2C19CA12
SCHEMBL755136 0.70 L3MBTL1 (0.42) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL28936248 0.69 CYP3A4 (0.45) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL6576803 0.68 GABRA1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL4667743 0.68 GABRA1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19CA1
SCHEMBL29414888 0.68 GABRA1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19CA1
SCHEMBL2044282 0.68 GABRA1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL1415493 0.67 L3MBTL1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL6542720 0.67 GABRA1 (0.41) L3MBTL1ALDH1A1CYP3A4CYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806746-B2 Di- and tri-cationic glycosylated antitumor ether lipids, L-gucosylated gaels and rhamnose-linked gaels as cytotoxic agents against epithelial cancer cells and cancer stem cells THE UNIV OF MANITOBA (CA) 2020-10-20 US disclosed
US-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells THE UNIV OF MANITOBA (CA) 2017-07-06 US disclosed
WO-2015179983-A1 DI- AND TRI-CATIONIC GLYCOSYLATED ANTITUMOR ETHER LIPIDS, L-GUCOSYLATED GAELS AND RHAMNOSE-LINKED GAELS AS CYTOTOXIC AGENTS AGAINST EPITHELIAL CANCER CELLS AND CANCER STEM CELLS THE UNIVERSITY OF MANITOBA (CA) 2015-12-03 WO disclosed
US-9169283-B2 Post-synthetic modification of nucleic acids by inverse diels-alder reaction DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2015-10-27 US disclosed
US-20130085271-A1 POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2013-04-04 US disclosed
EP-2531514-A2 POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION Deutsches Krebsforschungszentrum (DE) 2012-12-12 EP disclosed
EP-2360167-A1 Post-synthetic modification of nucleic acids by inverse Diels-Alder reaction Deutsches Krebsforschungszentrum (DE) 2011-08-24 EP disclosed
WO-2011095336-A2 POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2011-08-11 WO 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-20130085271-A1 POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION DERA, ADAR, POLRMT L3MBTL1 658/4885ALDH1A1 389/4885CYP3A4 2672/4885
US-20170189438-A1 DI- and Tri-Cationic Glycosylated Antitumor Ether Lipids, L-Gucosylated Gaels and Rhamnose-Linked Gaels as Cytotoxic Agents Against Epithelial Cancer Cells and Cancer Stem Cells UGCG, PNLIP, B3GAT3 L3MBTL1 186/4885ALDH1A1 3588/4885CYP3A4 3734/4885
US-10806746-B2 Di- and tri-cationic glycosylated antitumor ether lipids, L-gucosylated gaels and rhamnose-linked gaels as cytotoxic agents against epithelial cancer cells and cancer stem cells PNLIP, UGCG, LIPC L3MBTL1 175/4885ALDH1A1 3576/4885CYP3A4 3664/4885

“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.