SCHEMBL6040541

SCHEMBL6040541

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.46
ACLY P53396 4/20 0.41
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6040919 0.87 TNFRSF1A (0.48) TNFRSF1AACLYAVPR1AHDAC6
SCHEMBL6040555 0.86 TNFRSF1A (0.50) TNFRSF1AACLYAVPR1A
SCHEMBL6040514 0.84 TNFRSF1A (0.53) TNFRSF1AACLYAVPR1AHDAC6
SCHEMBL5560099 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1
SCHEMBL4727938 0.83 TNFRSF1A (0.54) TNFRSF1AACLYAVPR1AALDH1A1HDAC6
SCHEMBL5565348 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL6040590 0.82 TNFRSF1A (0.56) TNFRSF1AACLYAVPR1AHDAC6
SCHEMBL6040547 0.82 TNFRSF1A (0.67) TNFRSF1AACLY
SCHEMBL6040544 0.82 TNFRSF1A (0.67) TNFRSF1AACLY
SCHEMBL6040901 0.81 TNFRSF1A (0.50) TNFRSF1AACLYAVPR1AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TNFRSF1A 3846/4885ACLY 1988/4885AVPR1A 2172/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ACLY 2200/4885AVPR1A 1442/4885

“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.