SCHEMBL829609

SCHEMBL829609

O=c1sc2cc(Br)cc(Br)c2cc1S(=O)(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 17/20 0.40
ALDH1A1 P00352 2/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL829796 0.85 SMN1; SMN2 (0.40) ALDH1A1POLB
SCHEMBL830948 0.80 VCAM1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL829567 0.79 TXNRD1 (0.41) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL830441 0.78 TXNRD1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL830702 0.78 TXNRD1 (0.40) VCAM1ALDH1A1NPBWR1MCHR1KDM4E
SCHEMBL1370309 0.78 VCAM1 (0.36) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL830889 0.75 PARK7 (0.41) ALDH1A1POLB
SCHEMBL830560 0.75 EPHX2 (0.36)
SCHEMBL830357 0.69 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL10389338 0.68 VCAM1 (0.56) VCAM1ALDH1A1NPBWR1MCHR1KDM4E

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 VCAM1 3903/4885ALDH1A1 1141/4885NPBWR1 3471/4885

“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.