SCHEMBL4394769

SCHEMBL4394769

O=C(Nc1nc2ccc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)cc2s1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.56
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
RAB9A P51151 6/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GFER P55789 1/20 0.50
ENPP3 O14638 7/20 0.49
ENPP1 P22413 6/20 0.49

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
SCHEMBL4398917 0.88 CLK1 (0.57) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4394576 0.86 CLK1 (0.48) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4404654 0.86 ENPP3 (0.62) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4402171 0.85 ENPP3 (0.56) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL13593743 0.85 CLK1 (0.47) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL5200906 0.84 ENPP3 (0.45) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4394510 0.84 ENPP3 (0.60) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4413074 0.83 CLK1 (0.52) CLK1NPC1SMN1; SMN2ALDH1A1USP2
SCHEMBL4396704 0.82 CLK1 (0.51) CLK1NPC1SMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL4396688 0.82 CLK1 (0.51) 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 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 600/4885SMN1; SMN2 4780/4885

“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.