SCHEMBL4055539

SCHEMBL4055539

FC(F)(F)c1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
UTRN P46939 1/20 0.44
NOTUM Q6P988 2/20 0.44
ALOX5 P09917 1/20 0.44
PTPN2 P17706 3/20 0.43
PTPN1 P18031 3/20 0.43
PTPN5 P54829 3/20 0.43
HSPD1 P10809 2/20 0.43
HSPE1 P61604 2/20 0.43
MGLL Q99685 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 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
SCHEMBL4054203 0.90 GPR119 (0.49) GPR119ALDH1A1MAPTALOX5PTPN2
SCHEMBL4059341 0.86 GPR119 (0.43) GPR119ALDH1A1ALOX5CCNE2CCNE1
SCHEMBL4059581 0.84 VSIR (0.54) GPR119ALDH1A1MAPTUTRNALOX5
SCHEMBL4054470 0.84 ADORA1 (0.47) GPR119ALDH1A1MAPTALOX5KDM4E
SCHEMBL4055547 0.83 GPR119 (0.43) GPR119ALDH1A1MAPTALOX5CCNE2
SCHEMBL4061714 0.82 ALOX5 (0.56) GPR119ALDH1A1MAPTALOX5PIK3R1
SCHEMBL4051830 0.81 RAB9A (0.55) GPR119ALDH1A1MAPTALOX5KDM4E
SCHEMBL4051901 0.81 NPC1 (0.62) GPR119ALDH1A1MAPTALOX5KDM4E
SCHEMBL402504 0.80 ALDH1A1 (0.52) ALDH1A1MAPTNOTUMPIK3R1PIK3CA
SCHEMBL4050450 0.80 NPC1 (0.58) GPR119ALDH1A1MAPTUTRNCCNE2

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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 GPR119 1677/4885ALDH1A1 3683/4885MAPT 4026/4885

“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.