SCHEMBL830049

SCHEMBL830049

COc1ccc2cc(S(=O)(=O)c3cc4ccc(OC)cc4sc3=O)c(=O)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.57
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GSTP1 P09211 1/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA3 P07451 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 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
SCHEMBL829683 0.88 CA2 (0.57) CA2PDE3BPDE3ACA12CA1
SCHEMBL830259 0.87 CA2 (0.54) CA2PDE3BPDE3ACA12CA1
SCHEMBL830154 0.82 CA2 (0.49) CA2PDE3BPDE3ACA12CA1
SCHEMBL830418 0.80 CA2 (0.47) CA2KDM4ECYP1A2
SCHEMBL830987 0.80 CA2 (0.47) CA2KDM4ECYP1A2
SCHEMBL830419 0.80 CA2 (0.47) CA2KDM4ECYP1A2
SCHEMBL830153 0.76 NFE2L2 (0.51) CA2
SCHEMBL830152 0.76 NFE2L2 (0.51) CA2
SCHEMBL831990 0.76 NFE2L2 (0.51) CA2
SCHEMBL830841 0.76 CA2 (0.43) CA2KDM4ERXFP1CYP1A2

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 CA2 2552/4885PDE3B 4735/4885PDE3A 4795/4885

“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.