SCHEMBL830099

SCHEMBL830099

COc1ccc2cc(S(=O)(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 10/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 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
SCHEMBL831771 0.89 TXNRD1 (0.43) TXNRD1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL831230 0.89 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL830873 0.88 ALDH1A1 (0.43) TXNRD1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL830357 0.86 SMN1; SMN2 (0.39) TXNRD1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL830154 0.83 CA2 (0.49) TXNRD1CA2ALDH1A1HTTCYP1A2
SCHEMBL830580 0.80 CA12 (0.52) TXNRD1CA2ALDH1A1LMNAGAA
SCHEMBL1366812 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL829796 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL830259 0.76 CA2 (0.54) CA2GAACYP1A2CYP2C19PKM
SCHEMBL830441 0.76 TXNRD1 (0.40) TXNRD1ALDH1A1HTTCYP1A2CYP2C19

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 TXNRD1 566/4885SMN1; SMN2 1066/4885CA2 2552/4885

“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.