SCHEMBL2431784

SCHEMBL2431784

CC(C)N(c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)[O-])C(=O)[C@H]1CC[C@H](C)CC1.CC(C)N(c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)[O-])C(=O)[C@H]1CC[C@H](C)CC1.[Mg+2]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.34
DGAT1 O75907 8/20 0.33
ROCK2 O75116 1/20 0.33
GRM1 Q13255 1/20 0.31
PARP1 P09874 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL2431915 0.98 GRM4 (0.34) GRM4DGAT1ROCK2GRM1PARP1
SCHEMBL2431918 0.98 GRM4 (0.34) GRM4DGAT1ROCK2GRM1PARP1
Potassium Ion SCHEMBL2431657 0.98 GRM4 (0.34) GRM4DGAT1ROCK2GRM1PARP1
Potassium Ion SCHEMBL2431656 0.98 GRM4 (0.34) GRM4DGAT1ROCK2GRM1PARP1
Choline SCHEMBL2431832 0.92 GRM4 (0.32) GRM4DGAT1
SCHEMBL2428165 0.92 DGAT1 (0.36) GRM4DGAT1ROCK2GRM1
SCHEMBL2428166 0.92 DGAT1 (0.36) GRM4DGAT1ROCK2GRM1
Ammonia Solution, Strong SCHEMBL2432088 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2GRM1
Ammonia Solution, Strong SCHEMBL2432090 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2GRM1
SCHEMBL2431789 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2GRM1

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
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
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.