SCHEMBL5564402

SCHEMBL5564402

C=C(C(=O)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1)c1cc(-c2cc3ccccc3[nH]2)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 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
SCHEMBL5564405 0.85 CYP19A1 (0.49) CYP19A1POLBALDH1A1KMT2APARP1
SCHEMBL5564409 0.85 CYP19A1 (0.49) CYP19A1POLBALDH1A1KMT2APARP1
SCHEMBL5564220 0.83 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2AGLA
SCHEMBL5566299 0.82 KAT6A (0.39) ALDH1A1KMT2A
SCHEMBL5559825 0.80 ALDH1A1 (0.42) POLBALDH1A1KMT2AHSD17B10
SCHEMBL5559874 0.80 CYP19A1 (0.51) CYP19A1POLBALDH1A1KMT2A
SCHEMBL5566864 0.79 CYP19A1 (0.53) CYP19A1POLBALDH1A1KMT2AMAPK1
SCHEMBL5560109 0.79 KDM4E (0.40) POLBALDH1A1KMT2AHSD17B10
SCHEMBL5564774 0.79 ALDH1A1 (0.41) POLBALDH1A1KMT2AHSD17B10
SCHEMBL5564991 0.79 KMT2A (0.45) POLBALDH1A1KMT2AMAPK1

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 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.