SCHEMBL827741

SCHEMBL827741

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
HSD11B1 P28845 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FPR1 P21462 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
FAAH O00519 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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) HPGDHSD11B1CA1CA2MMP1
SCHEMBL827398 0.84 HPGD (0.48) HPGDHSD11B1ALDH1A1PRSS1PRSS2
SCHEMBL828089 0.84 KMT2A (0.50) HPGDHSD11B1CA1CA2MMP1
SCHEMBL9574381 0.76 HPGD (0.58) HPGDCA1CA2MMP1MMP2
SCHEMBL827695 0.76 GABBR2 (0.42) ALDH1A1KMT2ALMNATSHRMAPT
SCHEMBL827512 0.75 KMT2A (0.54) HPGDMMP1MMP13KMT2A
Sulfuric Acid SCHEMBL27672617 0.72 LMNA (0.48) HPGDHSD11B1ALDH1A1KMT2ALMNA
SCHEMBL827092 0.72 KMT2A (0.48) HPGDCA1CA2ALDH1A1CA5A
SCHEMBL5049914 0.72 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL6631104 0.71 HPGD (0.54) HPGDCA1CA2MMP1MMP2

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 1134/4885HSD11B1 71/4885CA1 2837/4885

“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.