Sugi Predict

Sugi Predict / Compounds / SCHEMBL5552973

SCHEMBL5552973

SCHEMBL5552973

O=S(=O)(O)c1ccc(C=[N+]([O-])C2CCCC2)c(S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ SENP3 Q9H4L4 2/20 0.33
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.31
▸ RAD1 O60671 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SERPINE1 P05121 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10293546 0.76 SENP3 (0.37) CA12CA1CA2CA7CA14
SCHEMBL7671421 0.75 — —
Disufenton SCHEMBL727315 0.74 SENP3 (0.36) SENP3SENP2SENP1SUMO2SUMO1
Disufenton SCHEMBL13916412 0.74 SENP3 (0.36) SENP3SENP2SENP1SUMO2SUMO1
Disufenton SCHEMBL29385168 0.74 SENP3 (0.36) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL29396279 0.73 ALDH1A1 (0.41) CA12CA1CA2CA7CA14
SCHEMBL225048 0.73 ALDH1A1 (0.41) CA12CA1CA2CA7CA14
SCHEMBL5552879 0.72 SENP3 (0.35) CA12CA1CA2CA7CA14
Disufenton SCHEMBL1922127 0.72 SENP3 (0.35) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL5549198 0.72 SENP3 (0.35) CA12CA1CA2CA7CA14

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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 — — US disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 — — EP disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 — — US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 — — WO 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT CA12 4715/4885CA1 3342/4885CA2 3653/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT CA12 4715/4885CA1 3342/4885CA2 3653/4885

“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.