SCHEMBL4559868

SCHEMBL4559868

CCn1nc(-c2ccc(S(=O)(=O)N[C@@H](C)COc3ccccc3C(N)=O)s2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGES2 Q9H7Z7 1/20 0.41
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SCN9A Q15858 2/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
HTT P42858 1/20 0.34
MMP13 P45452 2/20 0.34
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
NEK2 P51955 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MMP1 P03956 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4520609 0.91 GAA (0.53) GAAL3MBTL1PTGES2POLBHPGD
Ethane SCHEMBL4559870 0.82 HTT (0.35) GAAL3MBTL1PTGES2HPGDTP53
SCHEMBL4513347 0.72 NR3C1 (0.55) GAAL3MBTL1PTGES2POLBHPGD
SCHEMBL4516667 0.71 NR3C1 (0.56) GAAL3MBTL1PTGES2POLBTP53
SCHEMBL4517020 0.70 HTT (0.44) GAAL3MBTL1HPGDMAPTHTT
SCHEMBL4512045 0.68 L3MBTL1 (0.55) L3MBTL1POLBHTTSMN1; SMN2RAB9A
SCHEMBL4519006 0.68 HTT (0.43) L3MBTL1MAPTHTTNPC1RAB9A
SCHEMBL4517755 0.67 NR3C1 (0.61) L3MBTL1HTT
SCHEMBL4512981 0.67 NR3C1 (0.61) L3MBTL1HTT
SCHEMBL4519749 0.67 NR3C1 (0.47) L3MBTL1MAPTHTTSMN1; SMN2PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 GAA 3779/4885L3MBTL1 4844/4885PTGES2 133/4885

“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.