SCHEMBL4397623

SCHEMBL4397623

CC(C)CC(N)Nc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C(C)C)sc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
ALDH1A1 P00352 7/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KMT2A Q03164 1/20 0.49
CLK1 P49759 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
CSNK1D P48730 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL4397619 0.84 ATAD2 (0.55) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4401044 0.82 ATAD2 (0.64) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4396726 0.82 ATAD2 (0.56) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4396794 0.82 ATAD2 (0.56) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4402207 0.81 ATAD2 (0.55) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4397062 0.75 LCK (0.46) ATAD2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4402030 0.74 DYRK1A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4394777 0.74 DYRK1A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4397618 0.73 HDAC3 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL4396754 0.73 DYRK1A (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1

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 ATAD2 870/4885ALDH1A1 930/4885NPC1 600/4885

“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.