SCHEMBL829579

SCHEMBL829579

Nc1cc(CS(=O)(=O)c2cc3ccc(Cl)cc3sc2=O)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
F10 P00742 9/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR2 P41597 5/20 0.34
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL830450 0.91 CYP3A4 (0.40) CYP3A4TP53TSHRF10ALDH1A1
SCHEMBL831421 0.87 CYP3A4 (0.41) CYP3A4CCR2PARP1MEN1POLB
SCHEMBL829697 0.86 F10 (0.38) CYP3A4F10ALDH1A1CCR2MEN1
SCHEMBL830441 0.82 TXNRD1 (0.40) CYP3A4TSHRALDH1A1POLB
SCHEMBL831473 0.79 GRM4 (0.39) CYP3A4F10ALDH1A1MEN1KMT2A
SCHEMBL830871 0.79 MEN1 (0.42) CYP3A4TP53ALDH1A1CCR2MEN1
SCHEMBL830098 0.77 DAO (0.43) CYP3A4TP53TSHRCCR2PARP1
SCHEMBL830581 0.76 CYP3A4 (0.36) CYP3A4PARP1
SCHEMBL4346323 0.75 PIK3CA (0.38) CYP3A4TP53TSHRF10ALDH1A1
SCHEMBL830657 0.75 KDM4E (0.41) CYP3A4ALDH1A1CCR2MEN1POLB

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 CYP3A4 1351/4885TP53 114/4885TSHR 1706/4885

“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.