SCHEMBL4710041

SCHEMBL4710041

CC(C)(C)[N+]([O-])=Cc1ccccc1OS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 1/20 0.35
MAPT P10636 2/20 0.34
FBP1 P09467 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP1 P07148 1/20 0.33
AR P10275 1/20 0.33
HTT P42858 2/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL29514984 0.78 KMT2A (0.38) ALDH1A1KMT2AMEN1HSD11B1SMN1; SMN2
SCHEMBL15216504 0.78 KMT2A (0.38) ALDH1A1KMT2AMEN1HSD11B1SMN1; SMN2
SCHEMBL1004336 0.78 KMT2A (0.38) ALDH1A1KMT2AMEN1HSD11B1SMN1; SMN2
SCHEMBL6153742 0.78 NFE2L2 (0.44) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL8012066 0.78 PTGS2 (0.42) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL6449477 0.77 KMT2A (0.38) ALDH1A1KMT2AMEN1HSD11B1SMN1; SMN2
SCHEMBL7897440 0.76 ALDH1A1 (0.37) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL5549224 0.74 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL2799147 0.73 KMT2A (0.36) LMNAALDH1A1KMT2AMEN1
SCHEMBL13232732 0.73 KMT2A (0.36) LMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922075-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS Oklahoma Medical Research Foundation (US) 2008-05-21 EP claimed
WO-2007019065-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-02-15 WO claimed
US-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION 2007-02-08 US claimed
US-6569902-B2 Nitrone inhibition of cancer development OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-05-27 US claimed
EP-1922075-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS Oklahoma Medical Research Foundation (US) 2008-05-21 EP disclosed
WO-2007019065-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-02-15 WO disclosed
US-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION 2007-02-08 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-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS MGMT, NOS3, NNMT LMNA 3957/4885MAPK1 2097/4885ALDH1A1 67/4885

“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.