SCHEMBL830358

SCHEMBL830358

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 1/20 0.50
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 3/20 0.44
IDO1 P14902 1/20 0.41
CES1 P23141 1/20 0.41
LGALS8 O00214 1/20 0.40
LGALS3 P17931 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TRPA1 O75762 1/20 0.39
KIF11 P52732 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
DDR1 Q08345 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
SCHEMBL830643 0.81 KDM4E (0.58) KDM4EGAAKMT2AMAPTCNR1
SCHEMBL22185223 0.79 KDM4E (0.55) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL22185381 0.77 KDM4E (0.53) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL1367463 0.77 KDM4E (0.56) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL22185664 0.76 KDM4E (0.49) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL831042 0.75 DAO (0.60) KDM4EMAPTALDH1A1CA2
SCHEMBL462640 0.75 MAPT (0.54) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL29456032 0.74 MAPT (0.62) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL3784910 0.74 MAPT (0.62) KDM4EGAAKMT2ACRHBPCRHR2
SCHEMBL3711402 0.73 KDM4E (0.55) KDM4EGAAKMT2AMAPTIDO1

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 5 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
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 KDM4E 1593/4885GAA 2447/4885KMT2A 484/4885

“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.