SCHEMBL4397744

SCHEMBL4397744

CC(C)(C)OC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
SCD O00767 1/20 0.53
LCK P06239 9/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
DYRK1A Q13627 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDPK1 O15530 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL4402101 0.88 DYRK1A (0.65) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4402216 0.87 HDAC8 (0.50) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4399513 0.87 HDAC8 (0.50) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4403568 0.87 HDAC8 (0.50) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4394714 0.85 LCK (0.47) KMT2ANPC1RAB9ALCKALDH1A1
SCHEMBL4401044 0.85 ATAD2 (0.64) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4396993 0.85 ALDH1A1 (0.55) KMT2ANPC1RAB9AMEN1SCD
SCHEMBL4396793 0.84 CLK1 (0.51) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL4397062 0.84 LCK (0.46) KMT2ANPC1RAB9ALCKALDH1A1
SCHEMBL4405589 0.83 NPC1 (0.63) KMT2ANPC1RAB9AMEN1SCD

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 KMT2A 2540/4885NPC1 600/4885RAB9A 4759/4885

“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.