SCHEMBL4344589

SCHEMBL4344589

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCc2[nH]cnc2C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.36
HCRTR1 O43613 1/20 0.36
P2RX7 Q99572 1/20 0.36
AOC3 Q16853 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 2/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CHRM4 P08173 1/20 0.32
CASP2 P42575 1/20 0.32
CASP4 P49662 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL4345405 0.88 HCRTR1 (0.36) KCNQ1HCRTR1P2RX7AOC3L3MBTL1
SCHEMBL4347398 0.83 P2RX7 (0.34) P2RX7AOC3GAAALDH1A1SMN1; SMN2
SCHEMBL3441492 0.78 HCRTR1 (0.48) KCNQ1HCRTR1GAAALDH1A1SMN1; SMN2
SCHEMBL699933 0.78 HCRTR1 (0.48) KCNQ1HCRTR1GAAALDH1A1SMN1; SMN2
SCHEMBL4353756 0.76 AOC3 (0.38) AOC3SMN1; SMN2CASP1CASP3CASP7
SCHEMBL4349064 0.75 HTR7 (0.46) HCRTR1
SCHEMBL4345307 0.75 BDKRB1 (0.38) AOC3
SCHEMBL10245869 0.73 HCRTR1 (0.47) KCNQ1HCRTR1GAAALDH1A1SMN1; SMN2
SCHEMBL13660775 0.73 HCRTR1 (0.47) KCNQ1HCRTR1GAAALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL7530824 0.73 AOC3 (0.48) P2RX7AOC3GAAALDH1A1SMN1; SMN2

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-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 KCNQ1 244/4885HCRTR1 742/4885P2RX7 243/4885

“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.