SCHEMBL4396916

SCHEMBL4396916

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.56
AXL P30530 1/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
LMNA P02545 3/20 0.56
PKM P14618 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
USP2 O75604 2/20 0.52
GMNN O75496 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
GAA P10253 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
SCHEMBL5160798 0.87 NPC1 (0.62) GFERALDH1A1HSD17B10LMNAPKM
SCHEMBL543995 0.81 CA2 (0.57) GFERAXLALDH1A1HSD17B10LMNA
SCHEMBL17324159 0.81 CYP3A4 (0.60) GFERAXLALDH1A1HSD17B10LMNA
SCHEMBL31114771 0.79 RAB9A (0.75) GFERAXLALDH1A1HSD17B10LMNA
SCHEMBL6067934 0.79 RAB9A (0.75) GFERAXLALDH1A1HSD17B10LMNA
SCHEMBL9722710 0.79 ALDH1A1 (0.62) GFERALDH1A1HSD17B10LMNAPKM
SCHEMBL4394548 0.79 HSD17B10 (0.47) GFERALDH1A1HSD17B10LMNAPKM
SCHEMBL4394543 0.79 HSD17B10 (0.45) GFERALDH1A1HSD17B10LMNAPKM
SCHEMBL9722861 0.78 CYP3A4 (0.65) GFERAXLALDH1A1HSD17B10LMNA
SCHEMBL4402101 0.78 DYRK1A (0.65) HPGDKMT2ACYP3A4CYP1A2CYP2C19

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 GFER 3413/4885AXL 1967/4885ALDH1A1 930/4885

“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.