SCHEMBL5565283

SCHEMBL5565283

C=C(C(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1)c1cc(-c2cc3ccccc3n2C)c(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 2/20 0.43
PHGDH O43175 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 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
SCHEMBL5566144 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1PHGDHKMT2A
SCHEMBL5565582 0.84 PTGER3 (0.36) ALDH1A1KMT2APOLBKDM4EGAA
SCHEMBL5566290 0.84 KDM4E (0.35) ALDH1A1KMT2APOLBKDM4EMEN1
SCHEMBL5565290 0.83 KEAP1 (0.45) ALDH1A1SMN1; SMN2MAPK1PHGDHKMT2A
SCHEMBL5565285 0.83 KEAP1 (0.45) ALDH1A1SMN1; SMN2MAPK1PHGDHKMT2A
SCHEMBL5565781 0.83 ALDH1A1 (0.35) ALDH1A1KMT2APOLBNPSR1KDM4E
SCHEMBL5564936 0.81 AKR1C3 (0.36) ALDH1A1KDM4E
SCHEMBL6040934 0.80 CA2 (0.41) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL5564750 0.80 PKM (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5565465 0.79 IMPDH2 (0.33) ALDH1A1KMT2ANPSR1KDM4ETSHR

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 ALDH1A1 1653/4885SMN1; SMN2 1575/4885MAPK1 2027/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885SMN1; SMN2 1575/4885MAPK1 2027/4885

“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.