SCHEMBL12348753

SCHEMBL12348753

COC(=O)C[C@H](C=NO)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.61
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PPARG P37231 1/20 0.44
▸ GPR34 Q9UPC5 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43

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
SCHEMBL2244513 0.90 FFAR1 (0.72) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL2244510 0.90 FFAR1 (0.72) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12021118 0.90 FFAR1 (0.64) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL14273217 0.89 FFAR1 (0.63) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL14980205 0.89 FFAR1 (0.63) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12021109 0.88 FFAR1 (0.62) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL13318210 0.83 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12020986 0.83 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL13350442 0.83 FFAR1 (0.65) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12021108 0.83 FFAR1 (0.64) FFAR1MRGPRX4PPARDPPARAPPARG

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
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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 — — US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 — — 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 (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 25/4885MRGPRX4 74/4885PPARD 36/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 FFAR1 25/4885MRGPRX4 74/4885PPARD 36/4885

“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.

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