SCHEMBL6040799

SCHEMBL6040799

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.50
CA9 Q16790 17/20 0.50
CA1 P00915 16/20 0.50
CA12 O43570 11/20 0.50
CA14 Q9ULX7 8/20 0.44
CA7 P43166 2/20 0.44
MMP2 P08253 1/20 0.42
CA4 P22748 2/20 0.42
LTA4H P09960 1/20 0.42
CA13 Q8N1Q1 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL13742923 0.83 CA2 (0.61) CA2CA9CA1CA12CA14
SCHEMBL4727765 0.82 KDM4E (0.46) LTA4HABL1BCR
SCHEMBL6040810 0.76 TNFRSF1A (0.58) CA2CA9CA1CA12CA4
SCHEMBL6040804 0.76 TNFRSF1A (0.58) CA2CA9CA1CA12CA4
SCHEMBL6040460 0.72 KAT6A (0.47) ABL1BCR
SCHEMBL27889063 0.72 CES2 (0.56) LTA4HABL1BCR
SCHEMBL6040735 0.72 ABL1 (0.37) LTA4HABL1BCR
SCHEMBL2134694 0.71 HDAC1 (0.74)
SCHEMBL2606713 0.70 BLM (0.59)
SCHEMBL3081682 0.70 CHEK1 (0.62) LTA4HABL1BCR

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 CA2 1903/4885CA9 2513/4885CA1 4731/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA9 2350/4885CA1 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.