SCHEMBL4402284

SCHEMBL4402284

CC(C)(C)OC(=O)Nc1nc2ccc(OC(=O)OC(C)(C)C)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.61
LCK P06239 9/20 0.58
RAB9A P51151 3/20 0.57
DYRK1A Q13627 2/20 0.57
NPC1 O15118 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.52
SCD O00767 2/20 0.51
KMT2A Q03164 2/20 0.51
ATAD2 Q6PL18 1/20 0.51
MEN1 O00255 1/20 0.51
CASP2 P42575 1/20 0.50

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
SCHEMBL28589359 0.85 DYRK1A (0.74) LCKRAB9ADYRK1ANPC1CYP1A2
SCHEMBL544557 0.83 LMNA (0.68) RAB9ADYRK1ANPC1CYP1A2CYP3A4
SCHEMBL29506738 0.83 LCK (0.69) LCKRAB9ADYRK1ANPC1HTT
SCHEMBL17090573 0.83 LCK (0.69) LCKRAB9ADYRK1ANPC1HTT
SCHEMBL2666847 0.83 DYRK1A (0.67) LCKRAB9ADYRK1A
SCHEMBL10118217 0.81 RAB9A (0.76) LCKRAB9ADYRK1ANPC1CYP1A2
SCHEMBL29809436 0.81 RAB9A (0.76) LCKRAB9ADYRK1ANPC1CYP1A2
SCHEMBL3943412 0.81 LCK (0.61) LCKRAB9ANPC1SMN1; SMN2SCD
SCHEMBL30263005 0.81 LCK (0.61) LCKRAB9ANPC1SMN1; SMN2SCD
SCHEMBL15839279 0.81 CA2 (0.68) CA2RAB9ADYRK1ANPC1CYP1A2

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 4 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-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 CA2 2034/4885LCK 3169/4885RAB9A 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.