SCHEMBL4397619

SCHEMBL4397619

CC(C)C(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCC(N)C(C)C)cc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
MAPK1 P28482 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.49
ALDH1A1 P00352 5/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 3/20 0.45
CLK1 P49759 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 2/20 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
SCHEMBL4396794 0.85 ATAD2 (0.56) ATAD2MAPK1HTTLMNATP53
SCHEMBL4396726 0.85 ATAD2 (0.56) ATAD2MAPK1HTTLMNATP53
SCHEMBL4397623 0.84 ATAD2 (0.55) ATAD2MAPK1HTTLMNATP53
Hydrochloric Acid SCHEMBL4402207 0.84 ATAD2 (0.55) ATAD2MAPK1HTTLMNATP53
SCHEMBL4401044 0.82 ATAD2 (0.64) ATAD2MAPK1HTTLMNATP53
SCHEMBL4397062 0.80 LCK (0.46) ATAD2MAPK1LMNAALDH1A1CA12
SCHEMBL4397618 0.78 HDAC3 (0.47) MAPK1LMNATP53ALDH1A1CA12
Hydrochloric Acid SCHEMBL4403593 0.78 HDAC3 (0.47) MAPK1LMNATP53ALDH1A1CA12
SCHEMBL4394777 0.77 DYRK1A (0.52) MAPK1HTTLMNAALDH1A1CA12
SCHEMBL4402030 0.77 DYRK1A (0.52) MAPK1HTTLMNAALDH1A1CA12

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 870/4885MAPK1 3845/4885HTT 1653/4885

“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.