SCHEMBL6734858

SCHEMBL6734858

O=S(=O)(Cl)Cc1ccc2sccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
CA2 P00918 9/20 0.42
CA12 O43570 8/20 0.42
PTPRC P08575 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
PDE10A Q9Y233 1/20 0.39
TPSAB1 Q15661 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
DYRK1A Q13627 1/20 0.37

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
SCHEMBL6740205 0.86 CYP2A6 (0.40) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL202117 0.76 CYP2A6 (0.66) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL6406508 0.74 CYP2A6 (0.50) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL6406503 0.74 CYP2A6 (0.50) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL6736910 0.73 CA2 (0.41) CA2
SCHEMBL6378197 0.73 CYP2A6 (0.47) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL631289 0.73 CYP2A6 (0.61) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL6404068 0.72 CYP2A6 (0.44) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL6734101 0.72 CA2 (0.34) CYP2A6CA2CA12PTPRCPTPN6
SCHEMBL4057654 0.72 CYP2A6 (0.51) CYP2A6CA2CA12PTPRCPTPN6

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 10 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
US-20030195191-A1 N-sulfonyl hydroxamic acid derivatives as inhibitors of cd23 SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-16 US disclosed
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US disclosed
EP-1280800-A1 N-SULFONYL HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF CD 23 SMITHKLINE BEECHAM PLC (GB) 2003-02-05 EP disclosed
EP-1265855-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001085721-A1 N-SULFONYL HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF CD 23 SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-15 WO disclosed
WO-2001062715-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO 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 (4 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-20030195191-A1 N-sulfonyl hydroxamic acid derivatives as inhibitors of cd23 CD40, HCAR3, TNFRSF9 CYP2A6 398/4885CA2 409/4885CA12 285/4885
US-20030134880-A1 Novel cd23 inhibitors CD2, CD22, CD40 CYP2A6 1907/4885CA2 1753/4885CA12 1052/4885
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 CYP2A6 392/4885CA2 673/4885CA12 165/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CYP2A6 552/4885CA2 1138/4885CA12 301/4885

“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.