SCHEMBL6741909

SCHEMBL6741909

O=C(O)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ADRB3 P13945 1/20 0.37
MAPT P10636 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
HDAC1 Q13547 1/20 0.35
TPSAB1 Q15661 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7059153 0.91 CYP2A6 (0.38) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL6738953 0.90 MEP1B (0.41) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL6738949 0.90 MEP1B (0.41) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL7127966 0.89 ATM (0.35) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL7117234 0.85 CTNNB1 (0.36) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL6733229 0.83 SLC1A3 (0.44) KMT2ASLC1A3SLC1A2SLC1A1CA2
SCHEMBL6733224 0.83 SLC1A3 (0.44) KMT2ASLC1A3SLC1A2SLC1A1CA2
SCHEMBL7467263 0.82 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL6738805 0.81 MMP7 (0.46) CTNNB1WNT3ACYP2A6MEN1KMT2A
SCHEMBL6743310 0.81 MEP1B (0.41) MEN1KMT2AMRGPRX4HDAC1TP53

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 6 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-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-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 (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 CTNNB1 3925/4885WNT3A 1856/4885CYP2A6 392/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CTNNB1 3411/4885WNT3A 1918/4885CYP2A6 552/4885

“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.