SCHEMBL831447

SCHEMBL831447

O=c1[nH]c2cc(O)ccc2cc1S(=O)(=O)c1cc2ccc(O)cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
DAO P14920 5/20 0.44
DDO Q99489 3/20 0.44
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
TYR P14679 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
FLT3 P36888 2/20 0.37

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
SCHEMBL830973 0.86 CA2 (0.54) CA2DAODDOCDK5CDK5R1
SCHEMBL829211 0.79 DAO (0.60) DAO
SCHEMBL829945 0.77 DAO (0.56) CA2DAODDOKDM4EALDH1A1
SCHEMBL830567 0.76 CA2 (0.57) CA2KDM4EALDH1A1GAAHPGD
SCHEMBL1038241 0.75 BRD4 (0.59) CA2DAODDOTYRHRH4
SCHEMBL830151 0.74 GRIN2D (0.57) CA2DAODDOATMKDM4E
SCHEMBL1369396 0.74 CA2 (0.47) CA2DAODDOTYRHRH4
SCHEMBL10345382 0.70 CA2 (1.00) CA2CDK5CDK5R1TYRHRH4
SCHEMBL252706 0.70 CA12 (0.54) CA2CDK5CDK5R1TDP1ERAP1
SCHEMBL29487486 0.70 CA12 (0.54) CA2CDK5CDK5R1TDP1ERAP1

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 2552/4885DAO 3359/4885DDO 1479/4885

“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.