Sugi Predict

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SCHEMBL150487

SCHEMBL150487

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ S100B P04271 1/20 0.36
▸ IGLV6-57 P01721 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CDC25B P30305 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
SCHEMBL150568 0.86 S100B (0.51) RAB9AS1PR4LMNAS100BCTDSP1
SCHEMBL127321 0.84 ADRA2A (0.35) ADRA2AADRA2BADRA2CRAB9AS1PR4
SCHEMBL151025 0.84 NSD2 (0.42) RAB9AALDH1A1MEN1HPGDKMT2A
SCHEMBL743428 0.84 NSD2 (0.42) RAB9AALDH1A1MEN1HPGDKMT2A
SCHEMBL30612673 0.84 NSD2 (0.42) RAB9AALDH1A1MEN1HPGDKMT2A
SCHEMBL5512906 0.81 S100B (0.38) RAB9AS1PR4LMNAS100BIGLV6-57
SCHEMBL8993977 0.79 L3MBTL1 (0.38) ALDH1A1KMT2AL3MBTL1CA12CA1
SCHEMBL8994024 0.76 PSEN1 (0.32) —
SCHEMBL195345 0.75 MEN1 (0.45) ADRA2AADRA2BADRA2CRAB9AS1PR4
SCHEMBL152875 0.74 S100B (0.31) LMNAS100BCDC25BESR1

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 ADRA2A 4308/4885ADRA2B 3562/4885ADRA2C 3910/4885

“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.