SCHEMBL6734101

SCHEMBL6734101

O=S(=O)(Cl)Cc1cc2ccsc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.34
CA12 O43570 7/20 0.34
ACLY P53396 1/20 0.34
CYP2A6 P11509 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP17A1 P05093 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL2096020 0.78 CYP2A6 (0.38) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL3815945 0.73 CTNNB1 (0.40) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL6734858 0.72 CYP2A6 (0.56) CA2CA12CYP2A6PTPRCPTPN6
SCHEMBL6740205 0.72 CYP2A6 (0.40) CA2CA12CYP2A6MRGPRX4PTPRC
SCHEMBL3807796 0.72 CYP2A6 (0.36) CA2CYP2A6CYP17A1MRGPRX4PTPRC
SCHEMBL31015952 0.71 CYP2A6 (0.42) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL17842734 0.71 CYP2A6 (0.42) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL7526081 0.70 CTNNB1 (0.34) CA2ACLYMRGPRX4CTNNB1WNT3A
SCHEMBL6738437 0.69 CA2 (0.41) CA2CA12ACLYCYP2A6CYP17A1
SCHEMBL3809930 0.69 LMNA (0.39) MRGPRX4CTNNB1WNT3A

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
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
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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 (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.