SCHEMBL6040934

SCHEMBL6040934

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
CA1 P00915 11/20 0.41
CA9 Q16790 10/20 0.41
CA12 O43570 8/20 0.41
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.37
KIF11 P52732 1/20 0.37
PTGES2 Q9H7Z7 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
SCHEMBL5565582 0.89 PTGER3 (0.36) CA2CA1KDM4EMAPTMEN1
SCHEMBL5565819 0.89 GAA (0.40) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL5566290 0.89 KDM4E (0.35) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL5565781 0.88 ALDH1A1 (0.35) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL6040695 0.88 KMT2A (0.40) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL5564936 0.85 AKR1C3 (0.36) KDM4EALDH1A1
SCHEMBL5565465 0.83 IMPDH2 (0.33) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL5565784 0.82 HPGD (0.52) ALDH1A1HPGDKMT2A
SCHEMBL5565826 0.81 HPGD (0.51) ALDH1A1HPGDKMT2A
SCHEMBL5564750 0.80 PKM (0.46) MAPTMEN1ALDH1A1HPGDKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 CA2 1903/4885CA1 4731/4885CA9 2513/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA2 2884/4885CA1 4582/4885CA9 3827/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA1 4430/4885CA9 2350/4885

“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.