SCHEMBL5560048

SCHEMBL5560048

C=C(C(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1)c1cc(-c2cccs2)c(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.42
SCN9A Q15858 17/20 0.42
SCN5A Q14524 5/20 0.42
SPR P35270 1/20 0.40
SCN1A P35498 1/20 0.40
SCN4A P35499 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40

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
SCHEMBL5565512 0.90 SLC22A12 (0.42) SCN9ASPR
SCHEMBL5565133 0.88 HTT (0.46) SCN9A
SCHEMBL5560946 0.86 RXFP1 (0.49)
SCHEMBL5566988 0.84 KMT2A (0.51)
SCHEMBL5565448 0.83 CA2 (0.36) TNFRSF1A
SCHEMBL5565370 0.83 MEN1 (0.51) SCN9A
SCHEMBL5565466 0.83 SCN9A (0.41) SCN9ASCN5A
SCHEMBL5564202 0.83 HPGD (0.49)
SCHEMBL5560051 0.82 TNFRSF1A (0.63) TNFRSF1A
SCHEMBL5560049 0.82 TNFRSF1A (0.63) TNFRSF1A

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-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US claimed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US claimed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US claimed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO claimed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 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 (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-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885SCN9A 954/4885SCN5A 175/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885SCN9A 954/4885SCN5A 175/4885

“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.