SCHEMBL2484523

SCHEMBL2484523

Cc1ccc(S(=O)(=O)O)cc1CC1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.36
PIK3CB P42338 5/20 0.36
PIK3CG P48736 4/20 0.36
MTOR P42345 1/20 0.36
AOC2 O75106 2/20 0.35
MAOA P21397 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CYP3A4 P08684 3/20 0.35
PARG Q86W56 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL26641101 0.89 SNCA (0.36) PIK3CDPIK3CBPIK3CGHCRTR1HCRTR2
SCHEMBL7735410 0.82 ALDH1A1 (0.40) CNR1CNR2ALDH1A1MCOLN3MEN1
SCHEMBL2364146 0.82 USP2 (0.41) HCRTR1HCRTR2CYP3A4ALDH1A1
SCHEMBL3673653 0.80 KMT2A (0.38) ALDH1A1MEN1KMT2A
SCHEMBL537493 0.80 KMT2A (0.38) ALDH1A1MEN1KMT2A
SCHEMBL7846676 0.80 PIK3CD (0.35) PIK3CDPIK3CBPIK3CGCYP3A4ALDH1A1
SCHEMBL5153698 0.78 CA1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL1714161 0.77 AOC2 (0.39) AOC2MAOAALDH1A1MEN1KMT2A
SCHEMBL2484470 0.77 ATM (0.45) ALDH1A1KMT2A
SCHEMBL2484519 0.76 DRD4 (0.40) CNR1CNR2ALDH1A1

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-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
US-5614527-A NITROGUANIDINE COMPOUND MITSUI TOATSU CHEMICALS, INC. (JP) 1997-03-25 US 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-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 PIK3CD 4031/4885PIK3CB 3934/4885PIK3CG 3773/4885

“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.