SCHEMBL4402128

SCHEMBL4402128

CC(C)(O)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CCNCC4)sc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
SNCA P37840 1/20 0.49
CLK1 P49759 3/20 0.48
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ENPP3 O14638 3/20 0.44
ENPP1 P22413 3/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4396704 0.95 CLK1 (0.51) DYRK1ACLK1KMT2ASMN1; SMN2MEN1
SCHEMBL4399622 0.91 ALDH1A1 (0.51) DYRK1ASNCAKMT2ASMN1; SMN2MEN1
SCHEMBL5200906 0.90 ENPP3 (0.45) DYRK1ASNCACLK1SMN1; SMN2ENPP3
Hydrochloric Acid SCHEMBL4397600 0.90 ALDH1A1 (0.51) DYRK1ASNCAKMT2ASMN1; SMN2MEN1
SCHEMBL4397038 0.90 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1MAPK1NPC1
Hydrochloric Acid SCHEMBL4397033 0.89 ALDH1A1 (0.42) KMT2ASMN1; SMN2MEN1MAPK1NPC1
SCHEMBL4394505 0.85 RAB9A (0.52) KMT2ASMN1; SMN2POLBMAPK1NPC1
SCHEMBL4394714 0.85 LCK (0.47) KMT2ASMN1; SMN2POLBMAPK1NPC1
SCHEMBL4397078 0.84 CLK1 (0.47) DYRK1ACLK1KMT2ASMN1; SMN2MEN1
SCHEMBL4397027 0.84 ENPP3 (0.53) DYRK1ASNCACLK1KMT2ASMN1; 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 9 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 claimed
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 DYRK1A 3203/4885SNCA 4387/4885CLK1 2705/4885

“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.