SCHEMBL2240953

SCHEMBL2240953

O=C(C[C@@H](c1ccc(OCc2cccc(B(O)O)c2)cc1)c1ccon1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
CHRM5 P08912 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ENPP2 Q13822 1/20 0.35
FAAH O00519 2/20 0.34
NAAA Q02083 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
IDH1 O75874 4/20 0.32

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
SCHEMBL2240959 1.00 FFAR1 (0.42) FFAR1CHRM5SLC6A3ENPP2FAAH
SCHEMBL2241881 0.91 FFAR1 (0.47) FFAR1CHRM5SLC6A3FAAHNAAA
SCHEMBL2241886 0.91 FFAR1 (0.47) FFAR1CHRM5SLC6A3FAAHNAAA
SCHEMBL2240731 0.90 FFAR1 (0.42) FFAR1CHRM5SLC6A3FAAHNAAA
SCHEMBL2240735 0.90 FFAR1 (0.42) FFAR1CHRM5SLC6A3FAAHNAAA
SCHEMBL2240693 0.88 FFAR1 (0.41) FFAR1CHRM5SLC6A3IDH1
SCHEMBL2240687 0.88 FFAR1 (0.41) FFAR1CHRM5SLC6A3IDH1
SCHEMBL2499238 0.85 NAAA (0.41) FFAR1FAAHNAAAIDH1
SCHEMBL2499240 0.85 NAAA (0.41) FFAR1FAAHNAAAIDH1
SCHEMBL2240828 0.85 FFAR1 (0.39) FFAR1CHRM5SLC6A3FAAHIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 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 (2 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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 FFAR1 25/4885CHRM5 308/4885SLC6A3 3204/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 FFAR1 25/4885CHRM5 308/4885SLC6A3 3204/4885

“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.