SCHEMBL3631406

SCHEMBL3631406

CCOC(=O)CCc1ccc(NCc2ccc(OC(C)C)c(-c3c(C)cc(OC4CCS(O)(O)CC4)cc3C)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.54
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
DRD3 P35462 1/20 0.40
FFAR4 Q5NUL3 4/20 0.38
P2RX3 P56373 3/20 0.35
S1PR3 Q99500 1/20 0.34

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
SCHEMBL3631407 0.94 FFAR1 (0.61) FFAR1DRD4ADRA1DDRD3FFAR4
SCHEMBL3633081 0.90 FFAR1 (0.60) FFAR1DRD4ADRA1DDRD3FFAR4
SCHEMBL13226536 0.87 FFAR1 (0.72) FFAR1DRD4ADRA1DDRD3FFAR4
SCHEMBL3629803 0.86 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL3633078 0.84 FFAR1 (0.68) FFAR1DRD4ADRA1DDRD3FFAR4
SCHEMBL3631602 0.83 FFAR1 (0.61) FFAR1FFAR4
SCHEMBL3629804 0.82 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL3631721 0.78 FFAR1 (0.44) FFAR1FFAR4P2RX3
SCHEMBL3633076 0.78 FFAR1 (0.65) FFAR1FFAR4
SCHEMBL3631605 0.78 FFAR1 (0.35) FFAR1DRD4ADRA1DDRD3

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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885DRD4 2571/4885ADRA1D 67/4885

“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.