SCHEMBL150488

SCHEMBL150488

CCN(C)c1ccc(N)c(OS(=O)(=O)S)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 1/20 0.40
S100B P04271 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR4 O95977 1/20 0.30

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
SCHEMBL150569 0.87 S100B (0.50) IGLV6-57S100BALDH1A1L3MBTL1KDM4E
SCHEMBL151204 0.84 APAF1 (0.37) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL972851 0.70 S100B (0.47) IGLV6-57S100BALDH1A1L3MBTL1KDM4E
SCHEMBL3105610 0.69 ALDH1A1 (0.35) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL150487 0.69 ADRA2A (0.37) IGLV6-57S100BADRA2AADRA2BADRA2C
SCHEMBL15453003 0.69 S100B (0.69) IGLV6-57S100BADRA2AADRA2BADRA2C
SCHEMBL127321 0.69 ADRA2A (0.35) IGLV6-57S100BADRA2AADRA2BADRA2C
SCHEMBL31265588 0.69 S100B (0.46) IGLV6-57S100BPOLBALDH1A1L3MBTL1
SCHEMBL31265585 0.69 S100B (0.46) IGLV6-57S100BPOLBALDH1A1L3MBTL1
SCHEMBL195345 0.68 MEN1 (0.45) IGLV6-57S100BADRA2AADRA2BADRA2C

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
EP-2430007-B1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LAB LTD (SG) 2014-02-12 EP disclosed
EP-2430007-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS Wista Laboratories Ltd. (SG) 2012-03-21 EP disclosed
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 US disclosed
WO-2010130977-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2010-11-18 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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT IGLV6-57 2306/4885S100B 962/4885ADRA2A 4308/4885

“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.