SCHEMBL17557161

SCHEMBL17557161

Nc1cc(-c2ccccc2S(=O)(=O)O)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
ALOX5AP P20292 13/20 0.39
FEN1 P39748 13/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SNCA P37840 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 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
SCHEMBL11037614 0.79 IKBKB (0.43) TTRALOX5APFEN1DDX3X
SCHEMBL6589418 0.78 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL17557154 0.77 PARP1 (0.42) CYP1A2CYP2C9HSD17B10MEN1ALDH1A1
SCHEMBL9818537 0.76 GNG2 (0.47) TTRALOX5APFEN1CYP1A2CYP2C9
SCHEMBL31213502 0.76 ALDH1A1 (0.50) TTRALOX5APFEN1CYP1A2CYP2C9
SCHEMBL9169234 0.73 APP (0.47) ALOX5APFEN1HSD17B10MEN1APP
SCHEMBL9507935 0.73 GSTP1 (0.53) CYP1A2CYP2C9PGAM1
SCHEMBL6174726 0.73 ALOX5AP (0.50) ALOX5APFEN1CYP2C9APPPTGES2
SCHEMBL8597480 0.72 PTGS2 (0.47) HSD17B10MEN1ALDH1A1MAPTTHRB
SCHEMBL15849847 0.72 PTGS2 (0.47) HSD17B10MEN1ALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884866-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-02-06 US disclosed
US-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-10 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-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD40, CD47, FCGRT TTR 1474/4885ALOX5AP 1811/4885FEN1 2748/4885

“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.