SCHEMBL6494935

SCHEMBL6494935

CS(=O)(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ENPP2 Q13822 1/20 0.39
SCD O00767 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK1A1L Q8N752 1/20 0.39

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
SCHEMBL7461587 0.82 CA2 (0.52)
SCHEMBL14419778 0.82 LMNA (0.41) ENPP2ALDH1A1SMN1; SMN2
SCHEMBL7806579 0.82
SCHEMBL12157467 0.80 GRK6 (0.47) SCDALOX5
SCHEMBL2028396 0.80 ADH5 (0.32)
SCHEMBL14194264 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13411813 0.78 ADH5 (0.36)
SCHEMBL22497118 0.77 SLC9A1 (0.42) SCDALDH1A1SMN1; SMN2
SCHEMBL8824901 0.76 PFKFB3 (0.30)
SCHEMBL8824902 0.76 PFKFB3 (0.33)

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-6855725-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20040063749-A1 Excitatory amino acid receptor antagonists BLEISCH THOMAS JOHN (US) 2004-04-01 US disclosed
EP-1351952-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2002053556-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 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 (1 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-20040063749-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 PTGS2 670/4885WNT3A 4150/4885TNKS2 3913/4885

“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.