SCHEMBL3631050

SCHEMBL3631050

COC(=O)CCc1ccc(NCc2cccc(-c3c(C)ccc4ccccc34)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.61
FFAR4 Q5NUL3 7/20 0.54
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3624566 0.90 FFAR1 (0.77) FFAR1FFAR4GNA15PTGER3TDP1
Hydrochloric Acid SCHEMBL3631174 0.89 FFAR1 (0.75) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL3632366 0.88 FFAR1 (0.79) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL1745622 0.84 FFAR1 (0.61) FFAR1FFAR4
SCHEMBL3632050 0.80 FFAR1 (0.63) FFAR1FFAR4
SCHEMBL3626609 0.80 FFAR1 (0.66) FFAR1FFAR4
SCHEMBL13840567 0.79 FFAR1 (0.59) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL3631973 0.78 FFAR1 (0.60) FFAR1FFAR4
SCHEMBL13226238 0.77 FFAR1 (0.79) FFAR1FFAR4
SCHEMBL3626617 0.77 FFAR1 (1.00) FFAR1FFAR4GNA15PTGER3TDP1

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 7 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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
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
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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 5/4885FFAR4 18/4885GNA15 838/4885

“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.