SCHEMBL6040580

SCHEMBL6040580

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2nc3cccnc3[nH]2)c(OC)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
HPSE Q9Y251 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 3/20 0.35
PDE5A O76074 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6040835 0.88 HPSE (0.38) RAB9AKDM4EMAPTNPC1HPSE
SCHEMBL6040585 0.80 ABCG2 (0.44) CA1CA2CA12CA9KDM4E
SCHEMBL6040588 0.80 ABCG2 (0.44) CA1CA2CA12CA9KDM4E
SCHEMBL6040694 0.80 CA2 (0.52) CA1CA2CA12CA9POLB
SCHEMBL5565638 0.76 CA2 (0.47) CA1CA2CA12CA9RAB9A
SCHEMBL6040824 0.74 KDM4E (0.49) RAB9AKDM4ENPC1HPSEKMT2A
SCHEMBL6040934 0.73 CA2 (0.41) CA1CA2CA12CA9KDM4E
SCHEMBL6040555 0.72 TNFRSF1A (0.50) CA1CA2CA12CA9KMT2A
SCHEMBL6040655 0.71 CA1 (0.37) CA1CA2CA12CA9KDM4E
SCHEMBL6040757 0.71 NPC1 (0.42) CA2CA9RAB9AKDM4EMAPT

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 4731/4885CA2 1903/4885CA12 3437/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA1 4582/4885CA2 2884/4885CA12 4275/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA1 4430/4885CA2 1739/4885CA12 3318/4885

“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.