SCHEMBL831230

SCHEMBL831230

COc1ccc(CS(=O)(=O)c2cc3ccc(O)cc3sc2=O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 11/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.37
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 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
SCHEMBL830099 0.89 TXNRD1 (0.42) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL831771 0.89 TXNRD1 (0.43) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL830873 0.87 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL829263 0.81 ATM (0.45) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL1368727 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL830672 0.80 SULT1A1 (0.43) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL830357 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL829796 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL830441 0.75 TXNRD1 (0.40) ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL830580 0.72 CA12 (0.52) ALDH1A1HTTLMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US claimed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US claimed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP claimed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US disclosed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 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 (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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 SMN1; SMN2 1066/4885ALDH1A1 1141/4885HTT 2736/4885

“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.