SCHEMBL6040565

SCHEMBL6040565

COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 11/20 0.75
ABCG2 Q9UNQ0 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 3/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL6040561 1.00 TNFRSF1A (0.75) TNFRSF1AABCG2CA1CA2CA9
SCHEMBL6040597 0.89 TNFRSF1A (0.83) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL6040592 0.89 TNFRSF1A (0.83) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL5960658 0.88 TNFRSF1A (0.83) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL5960657 0.88 TNFRSF1A (0.83) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL4727940 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL6040869 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL4727944 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2LMNAMAPTSMN1; SMN2
SCHEMBL6040517 0.87 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1LMNAMAPT
SCHEMBL6040522 0.87 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1LMNAMAPT

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 TNFRSF1A 3846/4885ABCG2 8/4885CA1 4731/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885ABCG2 178/4885CA1 4582/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ABCG2 35/4885CA1 4430/4885

“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.