SCHEMBL2428709

SCHEMBL2428709

CCN(c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.37
MAP3K5 Q99683 1/20 0.36
CYP2E1 P05181 1/20 0.34
EZH2 Q15910 2/20 0.34
GRM1 Q13255 1/20 0.34
ROCK2 O75116 1/20 0.34
PARP1 P09874 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CDK9 P50750 1/20 0.33
DGAT1 O75907 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL2428710 1.00 GRM4 (0.37) GRM4MAP3K5CYP2E1EZH2GRM1
SCHEMBL2430490 0.92 GRM4 (0.36) GRM4CYP2E1GRM1ROCK2PARP1
SCHEMBL2430491 0.92 GRM4 (0.36) GRM4CYP2E1GRM1ROCK2PARP1
SCHEMBL2432565 0.92 MAPT (0.40) GRM4MAP3K5EZH2ROCK2
SCHEMBL2432576 0.92 MAPT (0.40) GRM4MAP3K5EZH2ROCK2
SCHEMBL2427838 0.91 GRM4 (0.35) GRM4CYP2E1GRM1ROCK2PARP1
SCHEMBL2430862 0.91 ALDH1A1 (0.39) GRM4CYP2E1GRM1ROCK2DGAT1
SCHEMBL2434655 0.91 GRM4 (0.35) GRM4CYP2E1GRM1ROCK2PARP1
SCHEMBL2433942 0.91 GRM4 (0.35) GRM4CYP2E1GRM1ROCK2PARP1
SCHEMBL2436782 0.91 ALDH1A1 (0.39) GRM4CYP2E1GRM1ROCK2DGAT1

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
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO claimed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 GRM4 3141/4885MAP3K5 4143/4885CYP2E1 118/4885

“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.