SCHEMBL4405589

SCHEMBL4405589

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
TP53 P04637 5/20 0.63
POLB P06746 1/20 0.63
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SCD O00767 1/20 0.55
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
CASP2 P42575 1/20 0.53
TSHR P16473 1/20 0.52
CSNK1D P48730 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL4396993 0.90 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL5154634 0.90 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4399543 0.88 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4402101 0.87 DYRK1A (0.65) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL4397059 0.85 KMT2A (0.49) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4396844 0.85 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4399574 0.85 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2TP53POLB
Hydrochloric Acid SCHEMBL4398837 0.84 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4401044 0.84 ATAD2 (0.64) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4397744 0.83 KMT2A (0.53) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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 NPC1 600/4885RAB9A 4759/4885SMN1; 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.