SCHEMBL2430669

SCHEMBL2430669

CCN(CC)c1ccc(N)c(S(=O)(=O)S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.54
ALDH1A1 P00352 11/20 0.44
L3MBTL1 Q9Y468 10/20 0.44
MAPK1 P28482 5/20 0.44
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
PSMD14 O00487 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TERT O14746 1/20 0.40
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
HPGD P15428 5/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL10346490 0.83 S100B (0.54) S100BALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL2430788 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL150568 0.81 S100B (0.51) S100BALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL128645 0.77 S100B (0.47) S100BALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL150569 0.76 S100B (0.50) S100BALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL11431090 0.74 S100B (0.70) S100BALDH1A1L3MBTL1MAPK1CYP3A4
Sulfuric Acid SCHEMBL7955346 0.73 S100B (0.80) S100BALDH1A1L3MBTL1MAPK1CYP3A4
Methanesulfonamide SCHEMBL793229 0.73 S100B (0.80) S100BALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL8235136 0.73 S100B (0.63) S100BALDH1A1L3MBTL1MAPK1CYP3A4
Sulfuric Acid SCHEMBL7111026 0.72 S100B (0.42) S100BALDH1A1L3MBTL1MAPK1CYP3A4

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
EP-2547668-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS Pharmalucia Ltd (GB) 2013-01-23 EP disclosed
US-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2012-12-27 US disclosed
WO-2011114137-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2011-09-22 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-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS TYR, TST, TH S100B 1790/4885ALDH1A1 876/4885L3MBTL1 905/4885

“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.