SCHEMBL5552933

SCHEMBL5552933

O=Cc1cc(S(=O)(=O)O)cnc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ NAPRT Q6XQN6 1/20 0.33
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ING2 Q9H160 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL8847257 0.76 KDM4E (0.47) KDM4ENAPRTLCKFYNTSHR
SCHEMBL5549771 0.74 KDM4E (0.39) KDM4E
SCHEMBL31696807 0.69 ALDH1A1 (0.44) KDM4ETSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL3718026 0.69 TRIM24 (0.50) KDM4ENAPRTSMN1; SMN2TDP1ALDH1A1
SCHEMBL28565819 0.68 ALDH1A1 (0.42) KDM4ETSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL30023628 0.67 ALDH1A1 (0.41) KDM4ETSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL29949354 0.67 ALDH1A1 (0.55) KDM4EALDH1A1LMNA
SCHEMBL9768733 0.67 ING2 (0.44) KDM4EING2ALDH1A1
SCHEMBL867464 0.67 ALDH1A1 (0.41) KDM4ETSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL26777577 0.67 ALDH1A1 (0.41) KDM4ETSHRSMN1; SMN2TDP1ALDH1A1

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 KDM4E 3244/4885NAPRT 66/4885LCK 233/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT KDM4E 3244/4885NAPRT 66/4885LCK 233/4885

“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.

Send feedback