SCHEMBL5564501

SCHEMBL5564501

C=C(C(=O)c1ccc(S(=O)(=O)NN2CCCCC2)cc1)c1cc(-c2cccs2)c(OC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
TNFRSF1A P19438 1/20 0.36
USP2 O75604 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL5560061 0.83 TNFRSF1A (0.41) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6879563 0.82 TNFRSF1A (0.41) RXFP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL5560851 0.82 L3MBTL1 (0.39) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5566988 0.81 KMT2A (0.51) RXFP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL5564513 0.81 TNFRSF1A (0.53) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5564506 0.81 TNFRSF1A (0.53) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5566935 0.80 HTT (0.48) ALDH1A1LMNAHSD17B10MEN1ALOX15
SCHEMBL5566178 0.80 TNFRSF1A (0.39) RXFP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL5565370 0.80 MEN1 (0.51) RXFP1ALDH1A1LMNAMEN1ALOX12
SCHEMBL5566144 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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 RXFP1 4125/4885ALDH1A1 1653/4885LMNA 2762/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 RXFP1 4125/4885ALDH1A1 1653/4885LMNA 2762/4885

“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.