SCHEMBL830605

SCHEMBL830605

O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAOB P27338 2/20 0.44
PTPN22 Q9Y2R2 4/20 0.43
CCR2 P41597 1/20 0.42
TXNRD1 Q16881 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
F2 P00734 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
GPR35 Q9HC97 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL829617 0.82 CA12 (0.57) CA12CA9CA1CA2MAOB
SCHEMBL5817796 0.79 MMP2 (0.49) CA12CA9CA1CA2MAOB
SCHEMBL830702 0.79 TXNRD1 (0.40) TXNRD1KDM4EALDH1A1POLB
SCHEMBL831381 0.77 TXNRD1 (0.40) TXNRD1KDM4EALDH1A1POLBCYP1A2
SCHEMBL830441 0.77 TXNRD1 (0.40) TXNRD1KDM4EALDH1A1POLBCYP1A2
SCHEMBL1368332 0.77 TSHR (0.54) CA12CA9MAOBPTPN22KDM4E
SCHEMBL830002 0.76 MAOB (0.58) CA12CA9CA1CA2MAOB
SCHEMBL830269 0.75 CA1 (0.70) CA12CA9CA1CA2MAOB
SCHEMBL830294 0.72 CA12 (0.55) CA12CA9CA1CA2MAOB
SCHEMBL829567 0.71 TXNRD1 (0.41) TXNRD1KDM4EALDH1A1POLBCYP1A2

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 CA12 2448/4885CA9 1884/4885CA1 3859/4885

“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.