SCHEMBL13044799

SCHEMBL13044799

CCCc1cccc(OCCCF)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CDK1 P06493 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
PPARD Q03181 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13044808 0.95 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL13328703 0.90 GAA (0.40) GAATP53MAPTPPARDMTNR1A
SCHEMBL13328707 0.85 GAA (0.41) GAATP53MAPTPPARDMTNR1A
SCHEMBL13044795 0.82 GAA (0.55) GAACDK1TP53GLAMAPT
SCHEMBL3589040 0.77 GAA (0.55) GAACDK1TP53GLAMAPT
SCHEMBL9699431 0.75 GAA (0.50) GAACDK1TP53GLAMAPT
SCHEMBL9754517 0.74 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL8855117 0.74 GAA (0.51) GAACDK1TP53GLAMAPT
SCHEMBL3777329 0.73 GAA (0.61) GAACDK1TP53GLAMAPT
SCHEMBL10801614 0.72 SMN1; SMN2 (0.50) GAACDK1TP53GLAMAPT

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-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS MULLER KLAUS-HELMUT 2010-11-11 US disclosed
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS MULLER KLAUS-HELMUT 2010-11-11 US disclosed
US-20080076667-A1 Substituted fluoroalkoxyphenylsulfonylureas MULLER KLAUS-HELMUT 2008-03-27 US disclosed
US-20080076667-A1 Substituted fluoroalkoxyphenylsulfonylureas MULLER KLAUS-HELMUT 2008-03-27 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 (2 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-20080076667-A1 Substituted fluoroalkoxyphenylsulfonylureas PFAS, CBR3, CBR1 GAA 872/4885CDK1 451/4885TP53 2426/4885
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS PFAS, CBR3, CBR1 GAA 872/4885CDK1 451/4885TP53 2426/4885

“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.