SCHEMBL2495291

SCHEMBL2495291

CC[C@H](CC(=O)OC)c1ccc(F)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SHBG P04278 1/20 0.40
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
GAA P10253 1/20 0.39
F2 P00734 4/20 0.37
F10 P00742 4/20 0.37
PRSS1 P07477 3/20 0.36
TNF P01375 3/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL2501253 1.00 ADRB1 (0.46) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL2499131 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL2497909 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL2502887 0.84 TRPA1 (0.45) MAPTALDH1A1HTTPDE4APDE4B
SCHEMBL2498022 0.84 TRPA1 (0.45) MAPTALDH1A1HTTPDE4APDE4B
SCHEMBL3657826 0.84 GAA (0.48) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL3653210 0.84 GAA (0.48) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL4274415 0.84 GAA (0.48) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL18110925 0.80 HTT (0.56) MAPTALDH1A1HTTPDE4APDE4B
SCHEMBL18111591 0.80 SMN1; SMN2 (0.48) MAPTALDH1A1HTTGAATNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
CN-102083783-A Substituted biphenyl GPR40 modulators AMGEN INC 2011-06-01 CN disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ADRB1 59/4885ADRA2A 129/4885ADRB3 132/4885

“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.