SCHEMBL4415959

SCHEMBL4415959

Cc1cn(CC(=O)N(CCNS(=O)(=O)c2nnc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.34
F13A1 P00488 2/20 0.34
TGM1 P22735 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HPGD P15428 1/20 0.31
TK2 O00142 2/20 0.30
TK1 P04183 2/20 0.30

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
SCHEMBL4418646 0.93 DDX3X (0.33) DDX3XF13A1TGM1CA12CA1
SCHEMBL4419177 0.91 CA12 (0.32) CA12CA1CA2CA9HPGD
SCHEMBL4414797 0.88 TK1 (0.37) CA12CA1CA2CA9HPGD
SCHEMBL4411449 0.86 LMNA (0.33)
SCHEMBL3822201 0.84 F13A1 (0.41) F13A1TGM1CA12CA1CA2
SCHEMBL4426611 0.84 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL4418155 0.83 TK2 (0.33) CA12CA1CA2CA9TK2
SCHEMBL4425387 0.83 TK1 (0.33) CA12CA1CA2CA9TK2
SCHEMBL4414566 0.83 CA12 (0.38) CA12CA1CA2CA9HPGD
SCHEMBL4414309 0.81 TK1 (0.36) CA12CA1CA2CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
EP-1651642-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-11-29 EP disclosed
EP-1651642-A1 PNA MONOMER AND PRECURSOR Panagene Inc. (KR) 2006-05-03 EP disclosed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US disclosed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 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 (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-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 DDX3X 1976/4885F13A1 25/4885TGM1 2730/4885

“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.