SCHEMBL1506599

SCHEMBL1506599

COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
GAA P10253 2/20 0.63
PKM P14618 1/20 0.63
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.56
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
THRB P10828 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 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
SCHEMBL6670440 0.86 TSHR (1.00) TSHRSMN1; SMN2GAAPKMNPSR1
SCHEMBL17592905 0.86 SMN1; SMN2 (0.76) TSHRSMN1; SMN2GAAPKMLMNA
SCHEMBL19332465 0.86 GAA (0.76) TSHRSMN1; SMN2GAAPKMLMNA
SCHEMBL17593130 0.86 TSHR (0.76) TSHRSMN1; SMN2GAAPKMHTT
SCHEMBL11121612 0.82 TSHR (0.69) TSHRSMN1; SMN2GAAHTTLMNA
SCHEMBL17593131 0.82 SMN1; SMN2 (0.69) TSHRSMN1; SMN2HTTNPSR1LMNA
SCHEMBL38666234 0.78 NPSR1 (0.67) TSHRSMN1; SMN2NPSR1LMNAALDH1A1
SCHEMBL821765 0.77 TSHR (0.62) TSHRSMN1; SMN2GAAPKMNPSR1
SCHEMBL6087035 0.77 TSHR (0.63) TSHRSMN1; SMN2GAAHTTNPSR1
Sulphamoprine SCHEMBL93846 0.77 LMNA (0.67) TSHRSMN1; SMN2NPSR1LMNACYP3A4

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-20110059898-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS CANCURE LIMITED (AU) 2011-03-10 US claimed
EP-2063884-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS Ralph, John Stephen (AU) 2009-06-03 EP claimed
WO-2008031171-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS UNIV GRIFFITH (AU) 2008-03-20 WO claimed
EP-2063884-B1 PRO-OXIDANT ANTI-CANCER COMPOUNDS RALPH STEPHEN JOHN (AU) 2014-08-13 EP disclosed
US-8410056-B2 Pro-oxidant anti-cancer compounds CANCURE LIMITED (AU) 2013-04-02 US disclosed
US-20110059898-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS CANCURE LIMITED (AU) 2011-03-10 US disclosed
EP-2063884-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS Ralph, John Stephen (AU) 2009-06-03 EP disclosed
WO-2008031171-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS UNIV GRIFFITH (AU) 2008-03-20 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-20110059898-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS PRDX5, MT-ND2, UQCRC2 TSHR 4722/4885SMN1; SMN2 3711/4885GAA 4373/4885

“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.