SCHEMBL150489

SCHEMBL150489

CCCNc1ccc(N)c(SS(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
AR P10275 2/20 0.33
LMNA P02545 1/20 0.33
G6PD P11413 1/20 0.33
IDE P14735 1/20 0.33
CA12 O43570 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
EDNRA P25101 1/20 0.32
ABL1 P00519 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL150570 0.74 ALDH1A1 (0.58) G6PDIDEALDH1A1MEN1HSP90AA1
SCHEMBL17774906 0.70 ALDH1A1 (0.47) ARALDH1A1MEN1HPGDKMT2A
SCHEMBL25121907 0.70 ALDH1A1 (0.43) CA1CA2CA9ARCA12
SCHEMBL28276793 0.70 ALDH1A1 (0.49) ARABL1ALDH1A1CYP2C9CYP2C19
SCHEMBL195345 0.70 MEN1 (0.45) LMNAG6PDIDEALDH1A1MEN1
SCHEMBL8446974 0.69 ALDH1A1 (0.37) ABL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL14253837 0.69 ALDH1A1 (0.42) CTDSP1CA1CA2CA9AR
SCHEMBL127303 0.68 ALDH1A1 (0.39) CA1CA2CA9G6PDIDE
Sulfuric Acid SCHEMBL10792543 0.68 ALDH1A1 (0.40) CTDSP1CA1CA2CA9LMNA
Sulfuric Acid SCHEMBL9416322 0.68 ALDH1A1 (0.37) CTDSP1CA1CA2CA9LMNA

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 CTDSP1 3062/4885CA1 951/4885CA2 2717/4885

“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.