SCHEMBL830048

SCHEMBL830048

O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1cc2ccc(O)cc2oc1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.78
ATM Q13315 2/20 0.78
ERAP1 Q9NZ08 2/20 0.78
HSD17B3 P37058 1/20 0.60
CA9 Q16790 3/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
ESR2 Q92731 1/20 0.57
MIF P14174 10/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.55
GLA P06280 4/20 0.55
GAA P10253 4/20 0.55
KMT2A Q03164 4/20 0.55
S1PR4 O95977 2/20 0.55
MAPT P10636 2/20 0.55
S1PR1 P21453 2/20 0.55
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 3/20 0.54

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
SCHEMBL11213429 0.88 TDP1 (0.67) TDP1ATMERAP1HSD17B3CA9
SCHEMBL21033660 0.88 ATM (1.00) TDP1ATMERAP1HSD17B3CA9
SCHEMBL10533634 0.87 ERAP1 (0.65) TDP1ATMERAP1HSD17B3CA9
SCHEMBL830253 0.86 CA2 (0.77) TDP1ATMERAP1CA9CA2
SCHEMBL829908 0.85 TDP1 (0.63) TDP1ATMERAP1HSD17B3CA9
SCHEMBL7608185 0.83 ATM (0.64) TDP1ATMERAP1HSD17B3CA9
SCHEMBL5613447 0.81 ATM (0.65) TDP1ATMERAP1HSD17B3CA9
SCHEMBL7608182 0.80 ATM (0.57) TDP1ATMERAP1HSD17B3CA9
SCHEMBL21033655 0.80 ATM (0.65) TDP1ATMERAP1HSD17B3ESR2
SCHEMBL5296804 0.78 HSD17B3 (0.68) TDP1ERAP1HSD17B3CA9CA2

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 TDP1 3195/4885ATM 2392/4885ERAP1 4281/4885

“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.