SCHEMBL6040596

SCHEMBL6040596

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cccs2)c(OC)cc1OCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
HRH3 Q9Y5N1 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL6045177 0.96 HRH3 (0.47) CA2CA9CA12CA1CA7
SCHEMBL6040861 0.91 CHUK (0.41) KEAP1NFE2L2SMN1; SMN2KMT2ALMNA
SCHEMBL6040540 0.90 KDM4E (0.41) SMN1; SMN2KMT2ALMNAUSP2GLA
SCHEMBL6040873 0.87 KDM4E (0.44) HRH3KEAP1NFE2L2LMNAUSP2
SCHEMBL6040794 0.86 KDM4E (0.44) HRH3KEAP1NFE2L2LMNAUSP2
Hydrochloric Acid SCHEMBL5566518 0.85 FLT3 (0.40) KMT2ANPC1TSHRGAA
SCHEMBL5566144 0.84 ALDH1A1 (0.45) SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL6040607 0.83 KEAP1 (0.48) CA2CA9CA12CA1CA7
SCHEMBL6040600 0.83 KEAP1 (0.48) CA2CA9CA12CA1CA7
SCHEMBL6040637 0.80 CA2 (0.41) CA2CA9CA1KMT2APTGS2

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 CA2 1903/4885CA9 2513/4885CA12 3437/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA2 2884/4885CA9 3827/4885CA12 4275/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA9 2350/4885CA12 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.