SCHEMBL16220186

SCHEMBL16220186

O=Cc1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 4/20 0.44
CA14 Q9ULX7 3/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.43
ERN1 O75460 1/20 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
SCHEMBL16220184 0.86 KMT2A (0.49) KMT2AALDH1A1CA2CA12CA9
SCHEMBL11842004 0.84 KMT2A (0.61) KMT2AALDH1A1CA2CA12CA9
SCHEMBL28098231 0.83 KMT2A (0.50) KMT2AALDH1A1CA2CA12CA9
SCHEMBL4752052 0.83 KMT2A (0.50) KMT2AALDH1A1CA2CA12CA9
SCHEMBL28143438 0.81 KMT2A (0.53) KMT2AALDH1A1MAPTHTTTSHR
SCHEMBL709683 0.81 TSHR (0.62) KMT2AALDH1A1HTTTSHRMEN1
SCHEMBL11763133 0.80 ALDH1A1 (0.45) KMT2AALDH1A1MAPTHTTTSHR
SCHEMBL11226703 0.78 KMT2A (0.80) KMT2AALDH1A1CA2CA12CA9
SCHEMBL5879758 0.78 CYP2C9 (0.55) KMT2AALDH1A1MAPTHTTTSHR
SCHEMBL3166437 0.78 HTT (0.47) KMT2AALDH1A1MAPTCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771324-B1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO UNIV EMORY (US) 2017-02-01 EP disclosed
US-9499489-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2016-11-22 US disclosed
US-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO CHILDREN'S HEATLHCARE OF ATLANTA, INC. (US) 2014-11-06 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-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO RPP30, RNASE1, MAVS KMT2A 3295/4885ALDH1A1 1520/4885MAPT 3410/4885

“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.