SCHEMBL2431764

SCHEMBL2431764

O=C(Nc1ccc(-c2cc(N(CC3CC3)C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)c(C(=O)O)s2)cc1)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.33
DGAT1 O75907 1/20 0.32
ROCK2 O75116 1/20 0.32
GRM1 Q13255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PARP1 P09874 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
S1PR1 P21453 3/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL2434437 1.00 GRM4 (0.33) GRM4DGAT1ROCK2GRM1CYP3A4
SCHEMBL2430490 0.90 GRM4 (0.36) GRM4ROCK2GRM1PARP1PTGDR2
SCHEMBL2430491 0.90 GRM4 (0.36) GRM4ROCK2GRM1PARP1PTGDR2
SCHEMBL2428545 0.86 DGAT1 (0.36) GRM4DGAT1ROCK2CYP2C9PI4KB
SCHEMBL2428548 0.86 DGAT1 (0.36) GRM4DGAT1ROCK2CYP2C9PI4KB
SCHEMBL4349015 0.84 PI4KB (0.34) GRM4DGAT1ROCK2CYP2C9PI4KB
SCHEMBL2434655 0.84 GRM4 (0.35) GRM4DGAT1ROCK2GRM1CYP3A4
SCHEMBL2427838 0.84 GRM4 (0.35) GRM4DGAT1ROCK2GRM1CYP3A4
SCHEMBL2429373 0.83 GRM4 (0.34) GRM4DGAT1CYP2C9PI4KB
SCHEMBL2429376 0.83 GRM4 (0.34) GRM4DGAT1CYP2C9PI4KB

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
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

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 3141/4885DGAT1 4164/4885ROCK2 4204/4885

“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.