SCHEMBL4053094

SCHEMBL4053094

O=C(O)COc1cccc(-c2nc3ccc(-c4ccc(F)cc4F)cc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 1/20 0.51
FABP4 P15090 5/20 0.48
PTGER2 P43116 1/20 0.46
VSIR Q9H7M9 2/20 0.46
CETP P11597 1/20 0.45
CEPT1 Q9Y6K0 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
HPSE Q9Y251 1/20 0.42
UTRN P46939 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4051457 0.90 VSIR (0.56) FFAR1PPARDPPARAFABP4VSIR
SCHEMBL4058058 0.89 CEPT1 (0.50) VSIRCETPCEPT1GPR119UTRN
SCHEMBL13608541 0.87 GPR119 (0.49) FFAR1PPARDPPARAVSIRCETP
SCHEMBL4051596 0.85 GPR119 (0.55) FFAR1PPARDPPARAVSIRGPR119
SCHEMBL4055472 0.83 GPR119 (0.52) VSIRGPR119UTRN
SCHEMBL4050525 0.82 GPR119 (0.51) VSIRGPR119HPSEUTRNKDM4E
SCHEMBL4054837 0.82 UTRN (0.46) VSIRGPR119UTRNKDM4EMEN1
SCHEMBL4231839 0.82 GPR119 (0.46) VSIRGPR119UTRNKDM4EMEN1
SCHEMBL4051369 0.80 PPARD (0.47) FFAR1PPARDPPARAFABP4VSIR
SCHEMBL4055618 0.79 FFAR1 (0.50) FFAR1PPARDPPARAFABP4GPR119

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B FFAR1 3632/4885PPARD 4320/4885PPARA 3864/4885

“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.