SCHEMBL5694176

SCHEMBL5694176

Cc1ccc(S(=O)(=O)c2nc[nH]n2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NFKBIA P25963 2/20 0.43
RELA Q04206 2/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PAX8 Q06710 1/20 0.39
THRB P10828 1/20 0.37
KIF18A Q8NI77 1/20 0.37
ALDH1A1 P00352 2/20 0.37
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNMA1 Q12791 1/20 0.36
VCAM1 P19320 1/20 0.36

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
SCHEMBL5376312 0.74 GAA (0.52) MEN1KMT2ATDP1PAX8ALDH1A1
SCHEMBL19419900 0.73 MEN1 (0.57) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL10619019 0.72 TSHR (0.60) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL4067424 0.72 TSHR (0.60) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL4807396 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
Potassium Ion SCHEMBL10515756 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL9734767 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL10515856 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL137704 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A
SCHEMBL11119285 0.70 TSHR (0.58) TSHRCYP3A4MCOLN3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123981-A1 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF NOVO NORDISK A/S (DK) 2023-04-20 US disclosed
WO-2021146488-A1 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF DICERNA PHARMACEUTICALS, INC. (US) 2021-07-22 WO disclosed
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 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 (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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB TSHR 1768/4885CYP3A4 2590/4885MCOLN3 2803/4885

“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.