SCHEMBL4396704

SCHEMBL4396704

CC(C)(O)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ENPP3 O14638 3/20 0.46
ENPP1 P22413 3/20 0.46
DYRK1A Q13627 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL4402128 0.95 DYRK1A (0.49) CLK1NPC1RAB9AHSP90AA1KMT2A
SCHEMBL4394505 0.90 RAB9A (0.52) NPC1RAB9AKMT2ASMN1; SMN2POLB
SCHEMBL4397078 0.89 CLK1 (0.47) CLK1NPC1RAB9AHSP90AA1KMT2A
SCHEMBL4394714 0.88 LCK (0.47) NPC1RAB9AKMT2ASMN1; SMN2POLB
SCHEMBL5200906 0.87 ENPP3 (0.45) CLK1NPC1RAB9AENPP3ENPP1
SCHEMBL4398917 0.86 CLK1 (0.57) CLK1NPC1RAB9AHSP90AA1KMT2A
SCHEMBL4394797 0.86 SMN1; SMN2 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4399622 0.86 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1DYRK1A
Hydrochloric Acid SCHEMBL4394796 0.85 SMN1; SMN2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4397038 0.85 ALDH1A1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; 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 CLK1 2705/4885NPC1 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.