SCHEMBL5016478

SCHEMBL5016478

CCCCCNc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
TTR P02766 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNA3 P22001 2/20 0.44
RGS12 O14924 1/20 0.43

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
SCHEMBL5022978 0.97 CNR1 (0.49) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL10815702 0.91 CNR1 (0.55) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL14228843 0.90 TSHR (0.44) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL5015678 0.87 TSHR (0.51) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL14201709 0.87 ALDH1A1 (0.56) CNR1CNR2TSHRCYP1A2TTR
SCHEMBL9626477 0.84 TTR (0.50) TSHRMEN1KMT2ATDP1CYP1A2
SCHEMBL27278463 0.84 L3MBTL1 (0.62) CNR1CNR2L3MBTL1HPGDCA12
SCHEMBL30069272 0.84 CNR1 (0.57) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL12221061 0.84 TTR (0.46) TSHRTDP1CYP1A2TP53CYP3A4
SCHEMBL21347987 0.83 CA12 (0.47) CNR1CNR2L3MBTL1CYP1A2CYP3A4

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 CNR1 1283/4885CNR2 1168/4885L3MBTL1 1216/4885

“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.