SCHEMBL827398

SCHEMBL827398

O=S(=O)(Cc1ccccc1)CC(O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
HSD11B1 P28845 1/20 0.44
CNR2 P34972 1/20 0.43
FAAH O00519 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PRSS3 P35030 1/20 0.42
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
HTR2A P28223 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
GRIN2B Q13224 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
SCHEMBL824466 0.89 HPGD (0.54) HPGDKMT2AKDM4EHSD11B1FAAH
SCHEMBL826594 0.85 GMNN (0.48) IDO1GRIN2B
SCHEMBL827741 0.84 HPGD (0.48) HPGDKMT2AHSD11B1FAAHPRSS1
SCHEMBL828089 0.84 KMT2A (0.50) HPGDKMT2AHTTHSD11B1CNR2
SCHEMBL28748809 0.78 HSD11B1 (0.70) KDM4EHTTHSD11B1IDO1
SCHEMBL28748824 0.78 HSD11B1 (0.70) KDM4EHTTHSD11B1IDO1
SCHEMBL10636338 0.76 KDM4E (0.55) KDM4EHTTCNR2ALDH1A1IDO1
SCHEMBL9574381 0.76 HPGD (0.58) HPGDKMT2AKDM4EFAAHPRSS1
SCHEMBL827695 0.76 GABBR2 (0.42) KMT2AHTTCNR2ALDH1A1GRIN2B
SCHEMBL827512 0.75 KMT2A (0.54) HPGDKMT2AKDM4EHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO claimed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP disclosed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 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-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA HPGD 1134/4885KMT2A 2578/4885KDM4E 4377/4885

“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.