SCHEMBL4004845

SCHEMBL4004845

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
RBP4 P02753 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL164232 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAASMN1; SMN2
SCHEMBL13589980 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAASMN1; SMN2
SCHEMBL14493665 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL1061966 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4712253 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4712251 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAASMN1; SMN2
SCHEMBL5486305 0.78 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1GAASMN1; SMN2
SCHEMBL5193831 0.75 PKM (0.45) ALDH1A1PKMGAAHSD11B1
SCHEMBL15249744 0.75 TSHR (0.43) GAALMNATHRB
SCHEMBL2746270 0.74 L3MBTL1 (0.53) ALDH1A1PKML3MBTL1GAASMN1; SMN2

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 ALDH1A1 1968/4885PKM 3053/4885L3MBTL1 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.