SCHEMBL6738437

SCHEMBL6738437

CS(=O)(=O)c1cc2ccsc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
CA12 O43570 7/20 0.41
ACLY P53396 1/20 0.38
CYP2A6 P11509 1/20 0.36
PTGS2 P35354 3/20 0.36
CCR2 P41597 2/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP17A1 P05093 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL31015952 0.75 CYP2A6 (0.42) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL17842734 0.75 CYP2A6 (0.42) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL6742999 0.72 CYP2A6 (0.37) CA2CA12CYP2A6CYP17A1PTPRC
SCHEMBL6742234 0.69 PTGS2 (0.42) CA2CA12PTGS2
SCHEMBL6737344 0.69 CA2 (0.51) CA2CA12CYP2A6PTGS2PTPRC
SCHEMBL6734101 0.69 CA2 (0.34) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL12121771 0.68 CYP2A6 (0.37) CA2CA12CYP2A6CYP17A1PTPRC
SCHEMBL21931029 0.68 DYRK1A (0.42) CA2CA12CYP2A6CYP17A1PTPRC
SCHEMBL13736464 0.68 CYP2A6 (0.37) CA2CA12CYP2A6CYP17A1PTPRC
SCHEMBL30714299 0.68 CYP2A6 (0.37) CA2CA12CYP2A6CYP17A1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (2 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 CA2 673/4885CA12 165/4885ACLY 3542/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CA2 1138/4885CA12 301/4885ACLY 3598/4885

“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.