SCHEMBL4397022

SCHEMBL4397022

CC(C)C(CN)N(c1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CCCC4)sc3c2)cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.52
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
GFER P55789 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL4406027 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4404037 0.81 CYP3A4 (0.43) NPC1ALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL4397019 0.80 CLK1 (0.54) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4404654 0.80 ENPP3 (0.62) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4397041 0.79 CLK1 (0.55) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4397562 0.79 CLK1 (0.52) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4394510 0.78 ENPP3 (0.60) CLK1NPC1ALDH1A1SMN1; SMN2USP2
Hydrochloric Acid SCHEMBL4406883 0.78 CLK1 (0.51) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4409352 0.78 CLK1 (0.53) CLK1NPC1ALDH1A1SMN1; SMN2USP2
SCHEMBL4396724 0.77 NPC1 (0.50) CLK1NPC1ALDH1A1SMN1; SMN2USP2

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 2 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-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US 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 600/4885ALDH1A1 930/4885

“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.