SCHEMBL4404654

SCHEMBL4404654

O=C(Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1)C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.62
ENPP1 P22413 4/20 0.62
ENPP2 Q13822 4/20 0.62
CLK1 P49759 1/20 0.62
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GFER P55789 1/20 0.55
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.50
SCD O00767 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4394510 0.98 ENPP3 (0.60) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4402171 0.96 ENPP3 (0.56) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4397027 0.92 ENPP3 (0.53) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4394769 0.86 CLK1 (0.56) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4396793 0.85 CLK1 (0.51) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4402101 0.85 DYRK1A (0.65) NPC1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL4398917 0.84 CLK1 (0.57) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4397041 0.84 CLK1 (0.55) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4397019 0.84 CLK1 (0.54) ENPP3ENPP1ENPP2CLK1NPC1
SCHEMBL4404856 0.83 ABL1 (0.56) CLK1NPC1SMN1; SMN2ALDH1A1USP2

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 ENPP3 3756/4885ENPP1 3628/4885ENPP2 2640/4885

“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.