SCHEMBL2733941

SCHEMBL2733941

Cc1ccccc1S(=O)(=O)CCCCCCCCCCBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KMT2A Q03164 2/20 0.39
PLCG1 P19174 1/20 0.39
ALDH1A1 P00352 5/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
GAA P10253 1/20 0.33
ITGAV P06756 1/20 0.33
EDNRB P24530 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
SCHEMBL2733958 1.00 KEAP1 (0.57) KEAP1NFE2L2KMT2APLCG1ALDH1A1
SCHEMBL2734226 1.00 KEAP1 (0.57) KEAP1NFE2L2KMT2APLCG1ALDH1A1
SCHEMBL2733953 0.98 KEAP1 (0.59) KEAP1NFE2L2KMT2APLCG1ALDH1A1
SCHEMBL3683856 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL8778811 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL9099940 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL8778823 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL9102994 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL9099317 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4
SCHEMBL9101224 0.84 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTRAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338110-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS WISCONSIN MED COLLEGE INC (US) 2013-12-19 US disclosed
US-8466130-B2 Mitochondria targeted cationic anti-oxidant compounds for prevention, therapy or treatment of hyper-proliferative disease, neoplasias and cancers COLBY PHARMACEUTICAL COMPANY (US) 2013-06-18 US disclosed
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS COLBY PHARMACEUTICAL COMPANY (US) 2011-03-10 US disclosed
EP-2139522-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS Colby Pharmaceutical Company (US) 2010-01-06 EP disclosed
WO-2008109740-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS COLBY PHARMACEUTICAL COMPANY (US) 2008-09-12 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 (2 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-20130338110-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN KEAP1 982/4885NFE2L2 144/4885KMT2A 3446/4885
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN KEAP1 982/4885NFE2L2 144/4885KMT2A 3446/4885

“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.