SCHEMBL5024404

SCHEMBL5024404

CN(CCCO)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
CA2 P00918 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
HDAC4 P56524 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
EDNRA P25101 5/20 0.40
GBA1 P04062 3/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5016479 0.89 TTR (0.47) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL5016508 0.87 TTR (0.46) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL17381123 0.85 TTR (0.50) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL14228844 0.82 CA2 (0.42) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL14201706 0.79 L3MBTL1 (0.39) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL29941705 0.78 CA2 (0.69) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL29367067 0.78 CA2 (0.69) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL133520 0.78 CA2 (0.69) TTRCA2CYP1A2CYP2C19HTT
Water SCHEMBL29242598 0.77 CA2 (0.67) TTRCA2CYP1A2CYP2C19HTT
SCHEMBL2131462 0.77 CA2 (0.67) TTRCA2CYP1A2CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed
US-20060160901-A1 Method for selective targeting of apoptotic cells and small molecule ligands used thereof APOSENSE LTD. (IL) 2006-07-20 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 (1 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-20060160901-A1 Method for selective targeting of apoptotic cells and small molecule ligands used thereof BAD, BAX, CASP3 TTR 4380/4885CA2 2306/4885CYP1A2 4638/4885

“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.