SCHEMBL13630696

SCHEMBL13630696

C[C@H]1CC[C@H](C(=O)N(CC(F)(F)F)c2cc(-c3ccc(NC(=O)c4cscn4)cc3)sc2C=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.35
ROCK2 O75116 1/20 0.32
GRM1 Q13255 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK10 P53779 1/20 0.31
DGAT1 O75907 1/20 0.31
CYP2C9 P11712 3/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 2/20 0.30
MAP3K5 Q99683 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2434655 0.89 GRM4 (0.35) GRM4ROCK2GRM1PARP1DGAT1
SCHEMBL2427838 0.89 GRM4 (0.35) GRM4ROCK2GRM1PARP1DGAT1
SCHEMBL2433533 0.87 GRM4 (0.38) GRM4
SCHEMBL2433539 0.87 GRM4 (0.38) GRM4
SCHEMBL13630955 0.82 GRM4 (0.35) GRM4ROCK2PARP1DGAT1
SCHEMBL13630690 0.81 GRM4 (0.33) GRM4ROCK2PTGDR2
SCHEMBL2428709 0.79 GRM4 (0.37) GRM4ROCK2GRM1PARP1DGAT1
SCHEMBL2428710 0.79 GRM4 (0.37) GRM4ROCK2GRM1PARP1DGAT1
SCHEMBL2433942 0.78 GRM4 (0.35) GRM4ROCK2GRM1PARP1DGAT1
SCHEMBL2433940 0.78 GRM4 (0.35) GRM4ROCK2GRM1PARP1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US 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 3141/4885ROCK2 4204/4885GRM1 2793/4885

“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.