SCHEMBL3436893

SCHEMBL3436893

CCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.46
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 2/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
KCNH2 Q12809 1/20 0.45
ASAH2 Q9NR71 1/20 0.43
CA1 P00915 2/20 0.42

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
SCHEMBL16225842 1.00 CYP19A1 (0.51) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL10792656 1.00 CYP19A1 (0.51) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL27970653 0.94 MAPT (0.50) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL15065536 0.88 MAPT (0.41) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL27935675 0.87 CA1 (0.47) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL27995614 0.87 RECQL (0.57) RECQLMAPK1GLAHPGDTSHR
SCHEMBL27520719 0.87 RECQL (0.57) RECQLMAPK1GLAHPGDTSHR
SCHEMBL27550478 0.85 RECQL (0.55) RECQLMAPK1GLAHPGDTSHR
SCHEMBL30865768 0.84 CA1 (0.53) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL12737573 0.83 CA1 (0.46) MAPTALDH1A1SMN1; SMN2LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 US disclosed
US-7598230-B2 For the treatment of viral infections, microbial infections, and proliferative disorders; contain di- or triphosphate moeity mimetics, such as those containing boron anions BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-10-06 US disclosed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 US disclosed
US-20070259832-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-08 US disclosed
US-7285658-B2 Nucleotide mimics and their prodrugs BIOTA, INC. (US) 2007-10-23 US disclosed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 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 (3 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-20070259832-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CYP19A1 4078/4885MAPT 3539/4885MEN1 900/4885
US-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CYP19A1 4078/4885MAPT 3539/4885MEN1 900/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CYP19A1 4078/4885MAPT 3539/4885MEN1 900/4885

“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.