SCHEMBL4401038

SCHEMBL4401038

CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
PCSK9 Q8NBP7 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
USP30 Q70CQ3 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PAX8 Q06710 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL4397031 0.93 ALDH1A1 (0.51) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4398838 0.89 PCSK9 (0.43) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4396793 0.89 CLK1 (0.51) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4405536 0.88 LMNA (0.42) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL544666 0.86 MAPT (0.47) LMNAMEN1KMT2ASMN1; SMN2USP2
SCHEMBL4406183 0.82 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4404883 0.82 ALDH1A1 (0.45) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL544131 0.82 SMN1; SMN2 (0.46) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4397744 0.81 KMT2A (0.53) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4399543 0.80 RAB9A (0.66) LMNAMEN1KMT2AALDH1A1SMN1; SMN2

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 LMNA 3856/4885MEN1 3151/4885KMT2A 2540/4885

“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.