SCHEMBL830624

SCHEMBL830624

O=c1sc2cc(Cl)ccc2cc1S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
IDH1 O75874 4/20 0.45
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
CCNA1 P78396 2/20 0.41
CCND1 P24385 1/20 0.41
CDK6 Q00534 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL830658 0.84 PGR (0.51) PGRIDH1MAPTNPSR1MEN1
SCHEMBL829597 0.83 KMT2A (0.47) PGRMAPTNPSR1MEN1KMT2A
SCHEMBL830220 0.81 SGK1 (0.39) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL830755 0.79 PGR (0.46) PGRIDH1NPSR1ALDH1A1HTT
SCHEMBL830171 0.78 BRD4 (0.48) NPSR1HTTWDR5LMNA
SCHEMBL831036 0.78 PGR (0.48) PGRIDH1CDK1CCNB1CCNA2
SCHEMBL831074 0.76 CA2 (0.36) CDK2MEN1KMT2APKMALDH1A1
SCHEMBL853103 0.75 PGR (0.48) PGRIDH1MAPTNPSR1MEN1
SCHEMBL829343 0.75 PLAU (0.45) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL831524 0.73 KMT2A (0.48) PGRCDK1CCNB1CCNA2CDK2

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 PGR 3766/4885IDH1 157/4885CDK1 702/4885

“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.