SCHEMBL5015679

SCHEMBL5015679

CCCCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 1/20 0.44
EDNRA P25101 6/20 0.40
KMT2A Q03164 2/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
HTR6 P50406 1/20 0.39
GRM2 Q14416 1/20 0.37

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
SCHEMBL4008678 0.87 TDP1 (0.44) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL5016479 0.86 TTR (0.47) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL17376968 0.85 CA2 (0.46) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL28230178 0.81 CYP1A2 (0.55) CYP1A2CYP2C19TDP1HTTHIF1A
Dipentylamine SCHEMBL6535854 0.79 CYP1A2 (0.52) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL21283 0.78 CA2 (0.69) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL30362953 0.78 CA2 (0.69) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL29429225 0.78 CA2 (0.69) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL10344363 0.78 CA2 (0.69) CYP1A2CYP2C19TDP1HTTHIF1A
SCHEMBL6534971 0.78 CYP1A2 (0.51) CYP1A2CYP2C19TDP1HTTHIF1A

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-20060160901-A1 Method for selective targeting of apoptotic cells and small molecule ligands used thereof APOSENSE LTD. (IL) 2006-07-20 US disclosed
EP-1643958-A2 METHOD FOR SELECTIVE TARGETING OF APOPTOTIC CELLS AND SMALL MOLECULE LIGANDS USED THEREOF NST Neurosurvival Technologies Ltd. (IL) 2006-04-12 EP disclosed
WO-2004110339-A2 METHOD FOR SELECTIVE TARGETING OF APOPTOTIC CELLS AND SMALL MOLECULE LIGANDS USED THEREOF NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2004-12-23 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 (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 CYP1A2 4638/4885CYP2C19 4573/4885TDP1 3185/4885

“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.