SCHEMBL4059341

SCHEMBL4059341

Fc1cc(-c2nc3ccc(-c4ccco4)cc3o2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.43
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
ALOX5 P09917 1/20 0.42
ADORA2A P29274 2/20 0.42
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
P2RY6 Q15077 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
VSIR Q9H7M9 1/20 0.38

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 0.93 GPR119 (0.49) GPR119PIK3R1PIK3CAALOX5ADORA2A
SCHEMBL4062585 0.89 GPR119 (0.52) GPR119PIK3R1PIK3CAALOX5ADORA2A
SCHEMBL4055539 0.86 GPR119 (0.45) GPR119PIK3R1PIK3CAALOX5CCNE2
SCHEMBL4059581 0.82 VSIR (0.54) GPR119PIK3R1PIK3CAALOX5ADORA2A
SCHEMBL4051906 0.81 VSIR (0.50) GPR119PIK3R1PIK3CATLR9KDM4E
SCHEMBL4057037 0.78 HDAC6 (0.41) GPR119TLR9KDM4ENPC1ALDH1A1
SCHEMBL4061714 0.78 ALOX5 (0.56) GPR119PIK3R1PIK3CAALOX5ADORA2A
SCHEMBL13620439 0.76 TLR9 (0.40) GPR119TLR9KDM4ENPC1ALDH1A1
SCHEMBL4054470 0.75 ADORA1 (0.47) GPR119ALOX5KDM4ENPC1ALDH1A1
SCHEMBL4053161 0.74 ALOX5 (0.52) GPR119ALOX5ADORA2AKDM4ENPC1

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-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 1677/4885PIK3R1 565/4885PIK3CA 848/4885

“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.