SCHEMBL5552941

SCHEMBL5552941

O=S(=O)(O)c1coc(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
LMNA P02545 1/20 0.36
ING2 Q9H160 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NT5E P21589 2/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL2566419 0.74 SNCA (0.37) CA2TSHRSMN1; SMN2LCKFYN
SCHEMBL7665353 0.71 KDM4E (0.30) KDM4E
SCHEMBL11451068 0.71 LCK (0.47) TSHRSMN1; SMN2LCKFYNLMNA
SCHEMBL8476812 0.70 HPGD (0.46) CA2TSHRLMNAALDH1A1HSD17B10
SCHEMBL11438990 0.70 LCK (0.36) TSHRSMN1; SMN2LCKFYNLMNA
SCHEMBL5509303 0.70 TDP1 (0.44) TDP1
SCHEMBL8476690 0.69 HPGD (0.49) CA2TSHRLMNAALDH1A1KDM4E
SCHEMBL26054398 0.67 CA2 (0.38) CA2LCKFYN
SCHEMBL219222 0.67 LCK (0.57) CA2TSHRSMN1; SMN2LCKFYN
Hydrochloric Acid SCHEMBL23302213 0.64 LCK (0.55) CA2TSHRSMN1; SMN2LCKFYN

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 CA2 3653/4885TSHR 1903/4885SMN1; SMN2 155/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT CA2 3653/4885TSHR 1903/4885SMN1; SMN2 155/4885

“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.