SCHEMBL2734249

SCHEMBL2734249

Cc1ccc(S(=O)(=O)CCCCCCCl)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
MCHR1 Q99705 1/20 0.49
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
CA2 P00918 1/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CTSK P43235 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
G6PD P11413 1/20 0.42

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
SCHEMBL2734665 1.00 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL2733252 1.00 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL23674957 1.00 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL2734649 0.98 ALDH1A1 (0.74) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL6331035 0.92 ALDH1A1 (0.77) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8970703 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL4001371 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971703 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971186 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971393 0.90 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1

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-106337187-B Double stimuli responsive type nano containers of a kind of acid/base and preparation method thereof 南京理工大学 2018-10-12 CN claimed
CN-106337187-A Acid/base double stimulation responsive nanometer container and preparation method thereof 南京理工大学 2017-01-18 CN claimed
CN-106337187-B Double stimuli responsive type nano containers of a kind of acid/base and preparation method thereof 南京理工大学 2018-10-12 CN disclosed
CN-106337187-A Acid/base double stimulation responsive nanometer container and preparation method thereof 南京理工大学 2017-01-18 CN disclosed
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 ALDH1A1 1738/4885CYP2C19 1985/4885CYP3A4 3215/4885
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN ALDH1A1 1738/4885CYP2C19 1985/4885CYP3A4 3215/4885

“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.