SCHEMBL4406027

SCHEMBL4406027

CC(C)C(CN)N(c1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
USP30 Q70CQ3 2/20 0.43
GLS O94925 2/20 0.41
PCSK9 Q8NBP7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 3/20 0.38
CSNK1D P48730 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TGFBR1 P36897 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4397031 0.85 ALDH1A1 (0.51) ALDH1A1USP30GLSPCSK9L3MBTL1
SCHEMBL4406183 0.84 ALDH1A1 (0.47) ALDH1A1USP30GLSPCSK9L3MBTL1
SCHEMBL4404883 0.84 ALDH1A1 (0.45) ALDH1A1USP30GLSPCSK9L3MBTL1
SCHEMBL4397022 0.82 CLK1 (0.52) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4401038 0.79 LMNA (0.46) ALDH1A1USP30PCSK9L3MBTL1LMNA
SCHEMBL4403849 0.77 QPCT (0.47) ALDH1A1USP30GLSPCSK9LMNA
SCHEMBL4405536 0.77 LMNA (0.42) ALDH1A1USP30PCSK9L3MBTL1LMNA
SCHEMBL4398838 0.76 PCSK9 (0.43) ALDH1A1USP30PCSK9L3MBTL1LMNA
SCHEMBL4396793 0.76 CLK1 (0.51) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL5176922 0.75 ALDH1A1 (0.50) ALDH1A1USP30L3MBTL1LMNACSNK1D

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 ALDH1A1 930/4885USP30 1386/4885GLS 770/4885

“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.