SCHEMBL831042

SCHEMBL831042

O=c1[nH]c2ccc(F)cc2cc1S(=O)(=O)c1cc2cc(F)ccc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.60
KDM4E B2RXH2 2/20 0.52
PDPK1 O15530 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DDO Q99489 1/20 0.44
FLT3 P36888 3/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PARP1 P09874 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL829673 0.79 CYP2A6 (0.49) DAOKDM4EALDH1A1HPGDTDP1
SCHEMBL830973 0.79 CA2 (0.54) DAODDOFLT3CDK5CDK5R1
SCHEMBL830971 0.79 CYP19A1 (0.44) LMNAFLT3CDK5CA12CA1
SCHEMBL830326 0.79 HRH4 (0.38) DAOKDM4EALDH1A1HPGDTSHR
SCHEMBL830009 0.79 DAO (0.60) DAOKDM4EALDH1A1LMNACDK5
SCHEMBL829945 0.77 DAO (0.56) DAOKDM4EALDH1A1LMNAHPGD
SCHEMBL830643 0.76 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL830358 0.75 KDM4E (0.50) KDM4EALDH1A1CA2MAPT
SCHEMBL16767846 0.75 DAO (1.00) DAOKDM4EPDPK1ALDH1A1LMNA
SCHEMBL19126568 0.75 DAO (0.64) DAOKDM4EPDPK1ALDH1A1LMNA

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 DAO 3359/4885KDM4E 1593/4885PDPK1 4279/4885

“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.