SCHEMBL13223744

SCHEMBL13223744

CNC(=O)CCCC(=O)NCCCCC(NC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 5/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ NOD1 Q9Y239 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ GLP1R P43220 8/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP14 P50281 1/20 0.38

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
SCHEMBL14118084 0.95 FOLH1 (0.46) ALBFOLH1NOD1GLP1RCASP2
SCHEMBL31688586 0.91 FOLH1 (0.51) ALBFOLH1NOD1TSHRGLP1R
SCHEMBL13223698 0.89 ALB (0.48) ALBFOLH1NOD1TSHRGLP1R
SCHEMBL14118034 0.89 FOLH1 (0.51) ALBFOLH1NOD1GLP1RCASP2
SCHEMBL20900398 0.86 EPHX2 (0.51) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL20900403 0.86 EPHX2 (0.51) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL25357657 0.86 NAAA (0.53) ALBFOLH1NOD1GLP1RCASP2
SCHEMBL25357653 0.86 NAAA (0.53) ALBFOLH1NOD1GLP1RCASP2
SCHEMBL25358482 0.86 FOLH1 (0.52) ALBFOLH1NOD1GLP1REPHX2
SCHEMBL25358474 0.86 FOLH1 (0.52) ALBFOLH1NOD1GLP1REPHX2

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 ALB 580/4885FOLH1 15/4885NOD1 3445/4885

“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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