SCHEMBL4003082

SCHEMBL4003082

O=S(=O)(O)C12CC3CC(CC(Cl)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
GAA P10253 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5193831 0.78 PKM (0.45) GAADPP4
SCHEMBL15249744 0.78 TSHR (0.43) THRBGAA
SCHEMBL36264 0.75 GAA (0.44) THRBGAAL3MBTL1
SCHEMBL15773055 0.73 GAA (0.42) THRBGAAL3MBTL1
Water SCHEMBL2573342 0.73 GAA (0.42) THRBGAAL3MBTL1
Hydrochloric Acid SCHEMBL28181407 0.73 GAA (0.42) THRBGAA
SCHEMBL15772817 0.73 GAA (0.42) THRBGAAL3MBTL1
SCHEMBL1239169 0.73 GAA (0.42) THRBGAAL3MBTL1
SCHEMBL4004845 0.73 ALDH1A1 (0.47) THRBGAAL3MBTL1MAPK1MEN1
SCHEMBL5269244 0.72 THRB (0.48) THRBGAAL3MBTL1MAPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188743-B1 PROCESS FOR PREPARING ORGANIC SULFUR ACIDS OR SALTS THEREOF DAICEL CHEM (JP) 2009-06-17 EP disclosed
US-6706915-B2 USING A METAL COMPOUND AS A CATALYST, A CORRESPONDING ORGANIC SULFONIC ACID OR A SALT CAN BE OBTAINED BY REACTING AN ORGANIC SUBSTRATE WITH A SULFUR OXIDE IN THE ABSENCE OF N-HYDROXY AND N-OXO CYCLIC IMIDE COMPOUNDS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
US-20020161255-A1 Process for preparing organic sulfur acids or salts thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-31 US disclosed
EP-1188743-A1 PROCESS FOR PREPARING ORGANIC SULFUR ACIDS OR SALTS THEREOF Daicel Chemical Industries, Ltd. (JP) 2002-03-20 EP 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-20020161255-A1 Process for preparing organic sulfur acids or salts thereof BHMT2, TST, ICMT THRB 3122/4885GAA 4227/4885L3MBTL1 4197/4885

“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.