SCHEMBL4394546

SCHEMBL4394546

CC(C)(C)OC(=O)Nc1nc2ccc(OS(=O)(=O)c3cccs3)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.56
MAPT P10636 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
LCK P06239 6/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PKM P14618 1/20 0.52
SENP7 Q9BQF6 2/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL4404686 0.83 CLK1 (0.68) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4397032 0.83 CLK1 (0.62) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4402209 0.83 MAPT (0.67) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4397591 0.82 CLK1 (0.61) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4397744 0.81 KMT2A (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4397392 0.80 MAPT (0.63) CLK1MAPTL3MBTL1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5158228 0.80 CLK1 (0.56) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4396843 0.80 MAPT (0.59) CLK1MAPTL3MBTL1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5157789 0.80 MAPT (0.61) CLK1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4397681 0.79 CLK1 (0.56) CLK1MAPTL3MBTL1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 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-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments TFEB, ABAT, BRD4 CLK1 2705/4885MAPT 355/4885L3MBTL1 4287/4885

“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.