SCHEMBL7572265

SCHEMBL7572265

CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.51
MYC P01106 1/20 0.51
SOAT1 P35610 1/20 0.51
MAP2K3 P46734 1/20 0.51
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
SIRT5 Q9NXA8 1/20 0.41
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CXCR3 P49682 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7573273 1.00 SOAT2 (0.51) SOAT2MYCSOAT1MAP2K3CA1
SCHEMBL8180547 0.89 SOAT2 (0.52) SOAT2MYCSOAT1MAP2K3CA1
SCHEMBL7567260 0.88 SOAT2 (0.52) SOAT2MYCSOAT1MAP2K3CA2
SCHEMBL7566056 0.83 SOAT2 (0.60) SOAT2MYCSOAT1MAP2K3HDAC1
SCHEMBL8176706 0.81 SOAT2 (0.58) SOAT2MYCSOAT1MAP2K3CA1
SCHEMBL7568376 0.76 SOAT2 (0.60) SOAT2MYCSOAT1MAP2K3
SCHEMBL7574679 0.76 SOAT2 (0.60) SOAT2MYCSOAT1MAP2K3
SCHEMBL7567911 0.76 SOAT2 (0.67) SOAT2MYCSOAT1MAP2K3
SCHEMBL7567918 0.76 SOAT2 (0.67) SOAT2MYCSOAT1MAP2K3
SCHEMBL7569985 0.75 SOAT2 (0.66) SOAT2MYCSOAT1MAP2K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US claimed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
US-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US claimed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
US-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US 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 (1 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA SOAT2 324/4885MYC 404/4885SOAT1 704/4885

“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.