SCHEMBL2733955

SCHEMBL2733955

CCCC(Br)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
GAA P10253 3/20 0.43
ALDH1A1 P00352 6/20 0.43
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL18359069 0.85 MMP1 (0.57) CA2CA12CA9GAAALDH1A1
SCHEMBL28023657 0.83 SMN1; SMN2 (0.50) GAAALDH1A1MMP1MMP13CYP2C9
SCHEMBL4712813 0.81 CA2 (0.54) CA2CA12CA9GAAALDH1A1
SCHEMBL23106681 0.79 CA2 (0.57) CA2CA12CA9GAAALDH1A1
SCHEMBL15948905 0.79 CA2 (0.57) CA2CA12CA9GAAALDH1A1
SCHEMBL21790170 0.79 MMP1 (0.51) CA2CA12CA9GAAALDH1A1
SCHEMBL28962151 0.78 CA12 (0.51) CA2CA12CA9GAAALDH1A1
SCHEMBL14406789 0.78 CA2 (0.51) CA2CA12CA9GAAALDH1A1
SCHEMBL4725679 0.78 CA2 (0.51) CA2CA12CA9GAAALDH1A1
SCHEMBL6322367 0.78 CA2 (0.51) CA2CA12CA9GAAALDH1A1

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 3 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

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 CA2 1350/4885CA12 3149/4885CA9 1315/4885
US-20110059922-A1 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS TFAM, HSPD1, NLN CA2 1350/4885CA12 3149/4885CA9 1315/4885

“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.