SCHEMBL6040655

SCHEMBL6040655

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2c[nH]c(C3CC3)n2)c(OC)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.37
CA9 Q16790 11/20 0.36
CA2 P00918 11/20 0.36
CA12 O43570 7/20 0.36
ROCK2 O75116 2/20 0.36
POLB P06746 2/20 0.35
CA7 P43166 8/20 0.35
CA14 Q9ULX7 8/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6040602 0.88 RXRA (0.36) CA1CA9CA2CA12ROCK2
SCHEMBL6040661 0.80 ABCG2 (0.45) CA1CA2KDM4EMAPTMEN1
SCHEMBL6040664 0.80 ABCG2 (0.45) CA1CA2KDM4EMAPTMEN1
SCHEMBL6040694 0.73 CA2 (0.52) CA1CA9CA2CA12POLB
SCHEMBL5565638 0.73 CA2 (0.47) CA1CA9CA2CA12POLB
SCHEMBL6040580 0.71 CA1 (0.38) CA1CA9CA2CA12POLB
SCHEMBL6040555 0.71 TNFRSF1A (0.50) CA1CA9CA2CA12POLB
SCHEMBL6040934 0.70 CA2 (0.41) CA1CA9CA2CA12CA7
SCHEMBL5564572 0.70 GAA (0.47) CA1CA9CA2CA12CA7
SCHEMBL6040556 0.68 CA2 (0.39) CA1CA9CA2CA12POLB

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 10 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
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO 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 CA1 4731/4885CA9 2513/4885CA2 1903/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA1 4582/4885CA9 3827/4885CA2 2884/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA1 4430/4885CA9 2350/4885CA2 1739/4885

“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.