SCHEMBL3948746

SCHEMBL3948746

COC(=O)C(COS(=O)(=O)c1ccc(C)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.54
KYNU Q16719 1/20 0.51
CTSK P43235 4/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CTSL P07711 1/20 0.48
CA5A P35218 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL4972042 1.00 P2RX7 (0.54) P2RX7KYNUCTSKALDH1A1ALOX15
SCHEMBL3957822 0.92 P2RX7 (0.54) P2RX7CTSKCTSLLMNA
SCHEMBL28450226 0.91 P2RX7 (0.50) P2RX7CTSKCTSLCA5ALMNA
SCHEMBL8932365 0.90 CA1 (0.47) P2RX7CTSKALDH1A1LMNA
SCHEMBL3652008 0.86 P2RX7 (0.51) P2RX7CTSKCA5ALMNA
SCHEMBL3652010 0.86 P2RX7 (0.51) P2RX7CTSKCA5ALMNA
SCHEMBL22552853 0.86 P2RX7 (0.51) P2RX7CTSKCA5ALMNA
SCHEMBL38652164 0.85 P2RX7 (0.55) P2RX7ALDH1A1LMNA
SCHEMBL17471772 0.85 P2RX7 (0.55) P2RX7ALDH1A1LMNA
SCHEMBL7100122 0.84 P2RX7 (0.49) P2RX7ALDH1A1CTSLLMNA

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
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 P2RX7 2173/4885KYNU 4372/4885CTSK 1424/4885
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 P2RX7 2475/4885KYNU 2424/4885CTSK 1641/4885

“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.