SCHEMBL829512

SCHEMBL829512

Nc1cc(CS(=O)(=O)c2cc3ccccc3[nH]c2=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
IL4I1 Q96RQ9 4/20 0.38
KDM4E B2RXH2 4/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.38
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
PARP1 P09874 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL830098 0.87 DAO (0.43) DAOPARP1CYP3A4TSHR
SCHEMBL830328 0.84 CDK5 (0.49) CDK5CDK5R1IL4I1KDM4ECYP1A2
SCHEMBL830359 0.82 TXNRD1 (0.41) CDK5CDK5R1IL4I1KDM4ECYP1A2
SCHEMBL830861 0.77 S100A9 (0.35) PARP1CA2
SCHEMBL831421 0.76 CYP3A4 (0.41) PARP1CA2LOXL2KMT2ACYP3A4
SCHEMBL830692 0.76 CDK5 (0.44) CDK5CDK5R1IL4I1KDM4ECYP1A2
SCHEMBL830538 0.76 CNR1 (0.54) KDM4EHSD17B10ALDH1A1KMT2ATSHR
SCHEMBL830554 0.74 BRD4 (0.51) CDK5CDK5R1KDM4ECYP1A2HSD17B10
SCHEMBL1368749 0.74 IDO1 (0.44) IL4I1KDM4EHSD17B10BRD4DAO
SCHEMBL829565 0.72 DAO (0.50) CDK5CDK5R1DAOPARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK5 801/4885CDK5R1 864/4885IL4I1 1156/4885

“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.