SCHEMBL4615229

SCHEMBL4615229

O=S(=O)(Cl)c1cc(Br)ccc1S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S100A4 P26447 1/20 0.35
WDR5 P61964 5/20 0.35
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
TRPV4 Q9HBA0 3/20 0.32
PTPRC P08575 1/20 0.31
CA2 P00918 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
PLCG1 P19174 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
SCHEMBL198775 0.78 LMNA (0.44) GLASMN1; SMN2S100A4WDR5TSHR
SCHEMBL197054 0.78 S100A4 (0.48) GLASMN1; SMN2S100A4WDR5TSHR
SCHEMBL29882666 0.78 LMNA (0.44) GLASMN1; SMN2S100A4WDR5TSHR
SCHEMBL4615047 0.77 TRPV4 (0.48) S100A4TSHRGAALMNATRPV4
SCHEMBL2244585 0.77 TRPV4 (0.40) GLASMN1; SMN2S100A4WDR5TSHR
SCHEMBL1790226 0.75 FLT1 (0.39) GLASMN1; SMN2S100A4WDR5GAA
SCHEMBL1121492 0.75 WDR5 (0.53) WDR5CA12CA9BCL2MCL1
SCHEMBL264948 0.75 EDNRB (0.45) GLASMN1; SMN2S100A4TSHRGAA
SCHEMBL29451830 0.75 TRPV4 (0.46) GLASMN1; SMN2WDR5LMNATRPV4
SCHEMBL4615460 0.74 TRPV4 (0.30) TRPV4

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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 GLA 663/4885SMN1; SMN2 1670/4885S100A4 3584/4885

“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.