SCHEMBL6040555

SCHEMBL6040555

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cc3ccccc3s2)c(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ACLY P53396 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
AVPR1A P37288 1/20 0.40
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6040590 0.88 TNFRSF1A (0.56) TNFRSF1AACLYAVPR1A
SCHEMBL4727938 0.87 TNFRSF1A (0.54) TNFRSF1AACLYAVPR1A
SCHEMBL6040514 0.86 TNFRSF1A (0.53) TNFRSF1AACLYAVPR1AMEN1KMT2A
SCHEMBL6040541 0.86 TNFRSF1A (0.46) TNFRSF1AACLYAVPR1A
SCHEMBL6040901 0.83 TNFRSF1A (0.50) TNFRSF1AACLYAVPR1A
SCHEMBL6040776 0.83 TNFRSF1A (0.50) TNFRSF1AACLYAVPR1A
SCHEMBL5565638 0.81 CA2 (0.47) CA1CA2CA9CA12CA7
SCHEMBL6040919 0.81 TNFRSF1A (0.48) TNFRSF1AACLYAVPR1A
SCHEMBL6040720 0.81 TNFRSF1A (0.66) TNFRSF1AACLYAVPR1A
SCHEMBL4728444 0.80 TNFRSF1A (0.50) TNFRSF1ACA1CA2CA9ACLY

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 3846/4885CA1 4731/4885CA2 1903/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885CA1 4582/4885CA2 2884/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885CA1 4430/4885CA2 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.