SCHEMBL4051602

SCHEMBL4051602

Fc1ccc(/C=C/c2nc3ccc(-c4ccco4)cc3o2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.40
ADORA2A P29274 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
PIK3R1 P27986 5/20 0.39
PIK3CA P42336 5/20 0.39
PGR P06401 1/20 0.37
FLT3 P36888 1/20 0.37
CLK4 Q9HAZ1 1/20 0.36
ERN1 O75460 2/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL4051608 1.00 NFE2L2 (0.40) NFE2L2ADORA2AGPR119PIK3R1PIK3CA
SCHEMBL4060472 0.92 PIK3R1 (0.40) NFE2L2ADORA2APIK3R1PIK3CAPGR
SCHEMBL4060467 0.92 PIK3R1 (0.40) NFE2L2ADORA2APIK3R1PIK3CAPGR
SCHEMBL4062200 0.89 PIK3R1 (0.44) NFE2L2ADORA2AGPR119PIK3R1PIK3CA
SCHEMBL4062204 0.89 PIK3R1 (0.44) NFE2L2ADORA2AGPR119PIK3R1PIK3CA
SCHEMBL4062300 0.83 NFE2L2 (0.48) NFE2L2
SCHEMBL4062306 0.83 NFE2L2 (0.48) NFE2L2
SCHEMBL4049941 0.81 PIK3R1 (0.46) NFE2L2ADORA2APIK3R1PIK3CAPGR
SCHEMBL4049940 0.81 PIK3R1 (0.46) NFE2L2ADORA2APIK3R1PIK3CAPGR
SCHEMBL4053726 0.81 UTRN (0.47) ADORA2AGPR119PIK3R1PIK3CAPGR

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 NFE2L2 996/4885ADORA2A 3069/4885GPR119 1677/4885

“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.