SCHEMBL13630955

SCHEMBL13630955

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.35
DGAT1 O75907 3/20 0.31
S1PR1 P21453 1/20 0.31
ROCK2 O75116 1/20 0.31
PARP1 P09874 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
SCHEMBL13630693 0.92 GRM4 (0.34) GRM4DGAT1
SCHEMBL2435334 0.89 GRM4 (0.36) GRM4DGAT1S1PR1ROCK2PARP1
SCHEMBL2432222 0.89 GRM4 (0.36) GRM4DGAT1S1PR1ROCK2
SCHEMBL2433434 0.89 GRM4 (0.36) GRM4DGAT1S1PR1ROCK2PARP1
SCHEMBL2432226 0.89 GRM4 (0.36) GRM4DGAT1S1PR1ROCK2
SCHEMBL13630758 0.87 ACKR3 (0.34) DGAT1S1PR1
SCHEMBL12329092 0.82 GRM4 (0.42) GRM4DGAT1
SCHEMBL13630696 0.82 GRM4 (0.35) GRM4DGAT1ROCK2PARP1
SCHEMBL4356621 0.81 GRM4 (0.34) GRM4DGAT1
SCHEMBL2429373 0.81 GRM4 (0.34) GRM4DGAT1

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 3141/4885DGAT1 4164/4885S1PR1 2888/4885

“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.