SCHEMBL6892615

SCHEMBL6892615

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.61
CTSK P43235 8/20 0.61
CTSB P07858 3/20 0.61
CTSL P07711 2/20 0.61
HDAC8 Q9BY41 1/20 0.57
AKT1 P31749 1/20 0.54
ACE P12821 1/20 0.54
MMP1 P03956 1/20 0.52
CYP3A4 P08684 1/20 0.51
SCN9A Q15858 1/20 0.51
REN P00797 1/20 0.50
CCKAR P32238 1/20 0.49
CCKBR P32239 1/20 0.49
BCL2 P10415 1/20 0.49

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
SCHEMBL7939509 0.85 HDAC4 (0.48) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL7939513 0.85 HDAC4 (0.48) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL3003024 0.85 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL3003020 0.85 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL26436560 0.84 LMNA (0.48) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL9610766 0.83 HDAC8 (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL3944495 0.83 HDAC8 (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL23566401 0.83 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL7498242 0.83 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL23566403 0.83 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713416-B2 POROSITY STRUCTURE; WATER IN OIL MICROEMULSION; MIXING SOLVENT AND SURFACTANT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-03-30 US disclosed
US-6660780-B2 Material that has been polymerized around molecules of an imprint compound in such a way that when the imprint group is removed from the material, cavities or \"imprinted sites\" remain in the material that are negative images of the imprint THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-12-09 US disclosed
US-20030191205-A1 MOLECULARLY-IMPRINTED MATERIAL MADE BY TEMPLATE-DIRECTED SYNTHESIS MARKOWITZ MICHAEL A (US) 2003-10-09 US disclosed
US-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis NAVY, SECRETARY OF THE, THE UNITED STATES OF AMERICA AS, REPRESENTED BY THE 2003-07-24 US disclosed
US-6583191-B2 Combining surfactant coupled to imprint group with solvent to form a mixture and allowing surfactant to self-assemble; polymerizing monomer to form solid having a surface topography complementary to that of supramolecular structure UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2003-06-24 US disclosed
US-20020065334-A1 Molecularly-imprinted material made by template-directed synthesis UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2002-05-30 US disclosed
US-6310110-B1 COMBINING THE SURFACTANT COUPLED TO AN IMPRINT GROUP, COMBINING SURFACTANT WITH SOLVENT FOR SELF-ASSEMBLING OF SUPERMOLECULAR STRUCTURE, COMBINING IT WITH A REACTIVE MONOMER WHERE SUPERMOLECULE WORK AS TEMPLET FOR ORGNIZING USA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2001-10-30 US disclosed
WO-2001009035-A1 MOLECULARLY-IMPRINTED MATERIAL MADE BY TEMPLATE-DIRECTED SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, ASREPRESENTED BY THE SECRETARY OF THE NAVY (US) 2001-02-08 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 (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-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis POLM, SGMS1, MSI2 CTSS 4115/4885CTSK 4220/4885CTSB 4636/4885

“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.