SCHEMBL4181820

SCHEMBL4181820

COc1cc(S(=O)(=O)Cl)ccc1OS(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
PTPN1 P18031 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL4180377 0.95 TSHR (0.56) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL66188 0.87 TSHR (0.70) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL4076121 0.81 GFER (0.60) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL307756 0.81 PTGS2 (0.40) SMN1; SMN2LMNAHTTALDH1A1CA9
SCHEMBL936003 0.79 EPAS1 (0.43) TSHRPOLBLMNAALDH1A1PKM
SCHEMBL1489970 0.78 TSHR (0.53) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL1489415 0.78 POLB (0.53) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL4169872 0.77 MAPK1 (0.47) TSHRPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL8626064 0.77 L3MBTL1 (0.36) MAPK1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2461498 0.77 CA12 (0.63) TSHRPOLBMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A TSHR 576/4885POLB 4819/4885MAPK1 1720/4885

“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.