SCHEMBL2240700

SCHEMBL2240700

Cc1cc([C@@H](CC(=O)O)c2ccc(OCc3cccc(-c4ccc(C(F)(F)F)cc4)c3)cc2)no1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.72
CHRM5 P08912 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PPARD Q03181 2/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL2239110 1.00 FFAR1 (0.72) FFAR1CHRM5SLC6A3PPARDPPARA
SCHEMBL12348754 0.93 FFAR1 (0.64) FFAR1CHRM5SLC6A3PPARDPPARA
SCHEMBL2239084 0.86 FFAR1 (0.75) FFAR1CHRM5SLC6A3PPARDPPARA
SCHEMBL2239076 0.86 FFAR1 (0.75) FFAR1CHRM5SLC6A3PPARDPPARA
SCHEMBL2240427 0.86 FFAR1 (0.75) FFAR1CHRM5SLC6A3PPARDPPARA
SCHEMBL3518826 0.84 FFAR1 (1.00) FFAR1PPARDPPARA
SCHEMBL3523900 0.84 FFAR1 (0.79) FFAR1PPARDPPARA
SCHEMBL3524415 0.84 FFAR1 (1.00) FFAR1PPARDPPARA
SCHEMBL6105421 0.83 FFAR1 (0.73) FFAR1
SCHEMBL3525795 0.82 FFAR1 (0.88) FFAR1PPARDPPARA

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.