SCHEMBL4401079

SCHEMBL4401079

Nc1nc2ccc(OS(=O)(=O)c3cccs3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 5/20 0.48
PKM P14618 4/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5160798 0.81 NPC1 (0.62) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL4397032 0.78 CLK1 (0.62) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL543995 0.78 CA2 (0.57) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL544604 0.78 CYP3A4 (0.55) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL4397591 0.78 CLK1 (0.61) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9722861 0.77 CYP3A4 (0.65) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL17324159 0.77 CYP3A4 (0.60) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL4402209 0.76 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4396916 0.76 GFER (0.56) CYP3A4MAPTTP53NPC1RAB9A
SCHEMBL4394546 0.75 CLK1 (0.56) MAPTTP53NPC1RAB9ASMN1; SMN2

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 CYP3A4 318/4885MAPT 355/4885TP53 2851/4885

“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.