SCHEMBL5559876

SCHEMBL5559876

COc1cc(OC)c(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)cc1C#Cc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5559878 1.00 CYP19A1 (0.50) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5559874 0.84 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2AMEN1
SCHEMBL5560030 0.82 MAPT (0.48) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5560023 0.82 MAPT (0.48) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5566867 0.81 CYP19A1 (0.53) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5566866 0.81 CYP19A1 (0.53) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5564223 0.81 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5564227 0.81 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5564409 0.81 CYP19A1 (0.49) CYP19A1POLBALDH1A1KMT2AMAPT
SCHEMBL5564405 0.81 CYP19A1 (0.49) CYP19A1POLBALDH1A1KMT2AMAPT

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 CYP19A1 169/4885POLB 4214/4885ALDH1A1 1653/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 CYP19A1 169/4885POLB 4214/4885ALDH1A1 1653/4885

“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.