SCHEMBL4394543

SCHEMBL4394543

CC(C)N(CCNc1ccc(S(=O)(=O)Oc2ccc3nc(N)sc3c2)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
USP2 O75604 2/20 0.45
HTT P42858 2/20 0.45
CYP3A4 P08684 6/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA2 P00918 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL4394548 0.87 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4402030 0.84 DYRK1A (0.52) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL4396726 0.83 ATAD2 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4402027 0.83 DYRK1A (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4402207 0.83 ATAD2 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL4399506 0.83 RAB9A (0.50) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4397053 0.82 RAB9A (0.49) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4399545 0.81 SMN1; SMN2 (0.56) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4396724 0.81 NPC1 (0.50) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4396844 0.81 SMN1; SMN2 (0.55) HSD17B10ALDH1A1SMN1; SMN2LMNAMAPT

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 8 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-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 HSD17B10 2470/4885ALDH1A1 930/4885SMN1; 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.