SCHEMBL2733253

SCHEMBL2733253

O=S(=O)(CCCCCCCCCCCl)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
KMT2A Q03164 5/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 2/20 0.44
FAAH O00519 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
PRSS3 P35030 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 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
SCHEMBL2734251 1.00 CA2 (0.46) CA2KMT2ALMNACA1FAAH
SCHEMBL2734668 1.00 CA2 (0.46) CA2KMT2ALMNACA1FAAH
SCHEMBL2734650 0.98 KMT2A (0.46) CA2KMT2ALMNACA1FAAH
SCHEMBL7031083 0.92 KMT2A (0.47) CA2KMT2ALMNACA1FAAH
SCHEMBL1149170 0.84 CA2 (0.50) CA2KMT2ALMNACA1FAAH
SCHEMBL1010109 0.81 MMP1 (0.47) CA2KMT2ACA1FAAHPRSS1
SCHEMBL8778866 0.81 MMP1 (0.47) CA2KMT2ACA1FAAHPRSS1
SCHEMBL8778812 0.81 MMP1 (0.47) CA2KMT2ACA1FAAHPRSS1
SCHEMBL4302784 0.81 CA2 (0.46) CA2KMT2ACA1FAAHPRSS1
SCHEMBL8778800 0.81 MMP1 (0.47) CA2KMT2ACA1FAAHPRSS1

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 1350/4885KMT2A 3446/4885LMNA 1723/4885
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 1350/4885KMT2A 3446/4885LMNA 1723/4885

“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.