Monoethanolamine

Monoethanolamine

SCHEMBL2434504

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.33
GRM4 Q14833 2/20 0.33
ROCK2 O75116 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
SCHEMBL2428166 0.95 DGAT1 (0.36) DGAT1GRM4ROCK2
SCHEMBL2428165 0.95 DGAT1 (0.36) DGAT1GRM4ROCK2
Ammonia Solution, Strong SCHEMBL2432090 0.94 DGAT1 (0.35) DGAT1GRM4ROCK2
Ammonia Solution, Strong SCHEMBL2432088 0.94 DGAT1 (0.35) DGAT1GRM4ROCK2
SCHEMBL2431789 0.94 DGAT1 (0.35) DGAT1GRM4ROCK2
SCHEMBL2432490 0.91 DGAT1 (0.31) DGAT1GRM4
Lysine SCHEMBL2430720 0.91 F2 (0.33) DGAT1
Lysine SCHEMBL2430719 0.91 F2 (0.33) DGAT1
Meglumine SCHEMBL2430776 0.88 DGAT1 (0.30) DGAT1
SCHEMBL2431286 0.87 GRM4 (0.38) DGAT1GRM4ROCK2

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 DGAT1 4164/4885GRM4 3141/4885ROCK2 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.