SCHEMBL13660775

SCHEMBL13660775

CC(C)(C)OC(=O)COC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
KCNQ1 P51787 1/20 0.44
CASP3 P42574 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MEN1 O00255 1/20 0.41
CHRM4 P08173 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10245869 1.00 HCRTR1 (0.47) HCRTR1KCNQ1CASP3ALDH1A1GAA
SCHEMBL699933 0.88 HCRTR1 (0.48) HCRTR1KCNQ1CASP3ALDH1A1GAA
SCHEMBL3441492 0.88 HCRTR1 (0.48) HCRTR1KCNQ1CASP3ALDH1A1GAA
SCHEMBL14048053 0.86 CASP3 (0.44) CASP3ALDH1A1KMT2AMCOLN3CASP1
SCHEMBL3442125 0.83 HCRTR1 (0.51) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2
SCHEMBL3636162 0.81 HCRTR1 (0.49) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2
SCHEMBL3446573 0.81 HCRTR1 (0.53) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2
SCHEMBL3442128 0.81 KMT2A (0.45) HCRTR1KCNQ1CASP3ALDH1A1GAA
SCHEMBL2566755 0.80 HCRTR1 (0.42) HCRTR1KCNQ1ALDH1A1GAASMN1; SMN2
SCHEMBL2568566 0.79 CASP3 (0.46) HCRTR1CASP3CASP1CASP7TP53

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HCRTR1 750/4885KCNQ1 262/4885CASP3 2926/4885

“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.