SCHEMBL3304476

SCHEMBL3304476

CCOC(=O)c1ccc(Cl)cc1S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ABCC1 P33527 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44

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
SCHEMBL3303156 0.87 MAPK1 (0.55) MAPK1CA12CA1CA2CA9
SCHEMBL235046 0.84 TSHR (0.60) MAPK1CA12CA1CA2CA9
SCHEMBL5248889 0.83 MAPK1 (0.54) MAPK1CA12CA1CA2CA9
SCHEMBL3304041 0.83 TSHR (0.53) MAPK1CA12CA1CA2CA9
SCHEMBL522136 0.83 KMT2A (0.59) MAPK1CA12CA1CA2CA9
SCHEMBL3304119 0.81 CA12 (0.70) MAPK1CA12CA1CA2CA9
SCHEMBL10487630 0.81 MAPK1 (0.52) MAPK1CA12CA1CA2CA9
SCHEMBL4071409 0.81 ABL1 (0.64) CA12CA1CA2CA9CA7
SCHEMBL7992264 0.80 MAPK1 (0.51) MAPK1CA12CA1CA2CA9
SCHEMBL2032836 0.80 MAPK1 (0.51) MAPK1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 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 (3 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 MAPK1 1075/4885CA12 3331/4885CA1 874/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 MAPK1 1075/4885CA12 3331/4885CA1 874/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 MAPK1 1075/4885CA12 3331/4885CA1 874/4885

“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.