SCHEMBL5467385

SCHEMBL5467385

Cc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.71
NFKBIA P25963 1/20 0.65
RELA Q04206 1/20 0.65
LMNA P02545 2/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
EDNRA P25101 2/20 0.57
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL2241124 0.85 ALDH1A1 (0.65) NFKBIARELALMNACA1CA2
SCHEMBL30926768 0.83 MEN1 (0.77) DDX3XLMNAALDH1A1MAPTKDM4E
SCHEMBL27181018 0.83 MEN1 (0.77) DDX3XLMNAALDH1A1MAPTKDM4E
SCHEMBL5595350 0.83 DDX3X (0.71) DDX3XNFKBIARELALMNACA1
SCHEMBL11872858 0.83 DDX3X (0.71) DDX3XNFKBIARELALMNACA1
SCHEMBL11863940 0.83 DDX3X (1.00) DDX3XNFKBIARELALMNACA1
SCHEMBL5460836 0.83 DDX3X (0.71) DDX3XNFKBIARELALMNACA1
SCHEMBL5468786 0.83 ALDH1A1 (0.71) DDX3XNFKBIARELALMNAALDH1A1
SCHEMBL10090766 0.82 ALDH1A1 (0.63) DDX3XNFKBIARELALMNACA1
SCHEMBL28821820 0.82 HPGD (0.70) DDX3XLMNACA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 US disclosed
WO-2016128541-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2016-08-18 WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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 (2 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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 DDX3X 1/4885NFKBIA 452/4885RELA 1291/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 DDX3X 3247/4885NFKBIA 2930/4885RELA 2650/4885

“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.