SCHEMBL5564576

SCHEMBL5564576

COc1cc(OC)c(N2CCCC2)cc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.58
ABCG2 Q9UNQ0 1/20 0.54
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 4/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAOB P27338 1/20 0.47
SNCA P37840 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL5564581 1.00 PTPN1 (0.58) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5565945 0.84 LMNA (0.51) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5565954 0.84 LMNA (0.51) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5559845 0.82 LMNA (0.49) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5559840 0.82 LMNA (0.49) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5560192 0.81 MEN1 (0.52) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5560194 0.81 MEN1 (0.52) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5575906 0.80 KMT2A (0.54) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5575907 0.80 KMT2A (0.54) PTPN1ABCG2MEN1LMNAGAA
SCHEMBL5559747 0.79 HTR7 (0.49) PTPN1MEN1LMNAGAAMAPT

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-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 PTPN1 816/4885ABCG2 7/4885MEN1 2929/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 PTPN1 816/4885ABCG2 7/4885MEN1 2929/4885

“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.