SCHEMBL13246031

SCHEMBL13246031

CNC(=O)CCCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ KMT2A Q03164 1/20 0.53
▸ MDM2 Q00987 6/20 0.51
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL13246005 0.93 TLR2 (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL13311696 0.90 TLR2 (0.61) TLR2KMT2AMDM2MDM4TP53
SCHEMBL17747043 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747061 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL14877938 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747040 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL21908195 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL21326214 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL21326215 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747033 0.90 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454936-B2 Metal chelators and methods of their use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-06-04 — — US disclosed
US-7785565-B2 Metal chelators and methods of their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-31 — — US disclosed
US-20100189645-A1 METAL CHELATORS AND METHODS OF THEIR USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HOMELAND A (US) 2010-07-29 — — 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-20100189645-A1 METAL CHELATORS AND METHODS OF THEIR USE SLC30A5, SLC30A7, SLC30A6 TLR2 3544/4885KMT2A 731/4885MDM2 3588/4885

“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.

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