SCHEMBL4396993

SCHEMBL4396993

CCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SCD O00767 1/20 0.54
TP53 P04637 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
TSHR P16473 1/20 0.53
P2RY12 Q9H244 1/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 3/20 0.53
HTT P42858 2/20 0.52
CASP2 P42575 1/20 0.52

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
SCHEMBL4399543 0.92 RAB9A (0.66) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4405589 0.90 NPC1 (0.63) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4402101 0.89 DYRK1A (0.65) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL4397059 0.87 KMT2A (0.49) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4402171 0.86 ENPP3 (0.56) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4401044 0.86 ATAD2 (0.64) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4397744 0.85 KMT2A (0.53) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4398846 0.84 RAB9A (0.50) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4399506 0.84 RAB9A (0.50) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4394505 0.84 RAB9A (0.52) ALDH1A1MAPTRAB9ANPC1KMT2A

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 ALDH1A1 930/4885MAPT 355/4885RAB9A 4759/4885

“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.