SCHEMBL1155686

SCHEMBL1155686

C#CCC[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(O)c1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.37
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
IL6ST P40189 1/20 0.34
AGTR2 P50052 2/20 0.33
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
IDH1 O75874 8/20 0.32
FAAH O00519 1/20 0.31
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 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
SCHEMBL1155682 1.00 PPARA (0.37) PPARAABHD6DAGLAIL6STAGTR2
SCHEMBL18017398 0.87 ALDH1A1 (0.33) IL6STIDH1
SCHEMBL1155529 0.86 ABHD6 (0.35) PPARAABHD6DAGLAIL6STCSNK2B
SCHEMBL1155527 0.86 ABHD6 (0.35) PPARAABHD6DAGLAIL6STCSNK2B
SCHEMBL9962996 0.83 AGTR2 (0.35) PPARAIL6STAGTR2CSNK2BCSNK2A1
SCHEMBL9962987 0.81 IL6ST (0.44) PPARAIL6STAGTR2CSNK2BCSNK2A1
SCHEMBL13654970 0.78 PPARA (0.37) PPARAIL6STCSNK2BCSNK2A1IDH1
SCHEMBL16630236 0.76 CYP11B2 (0.37)
SCHEMBL9962999 0.75 IDH1 (0.37) PPARAIL6STAGTR2IDH1FAAH
SCHEMBL1155471 0.75 FAAH (0.33) IL6STAGTR2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
EP-2274296-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 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-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 PPARA 286/4885ABHD6 3459/4885DAGLA 4016/4885

“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.