SCHEMBL3631357

SCHEMBL3631357

CC(C)(C)c1cc(-c2ccccc2)n(Cc2ccc(CNc3ccc(CCC(=O)O)c(F)c3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.54
FFAR4 Q5NUL3 7/20 0.54
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
AGTR1 P30556 1/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 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
SCHEMBL3632856 0.90 FFAR1 (0.46) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL3623923 0.88 FFAR1 (0.48) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL3631098 0.88 FFAR1 (0.50) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL3628658 0.85 FFAR1 (0.47) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL13226345 0.85 FFAR1 (0.46) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL2825465 0.83 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL3629933 0.83 FFAR1 (0.46) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL3631401 0.82 FFAR1 (0.44) FFAR1FFAR4NPSR1MAPTMAPK1
SCHEMBL3632392 0.82 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL13226343 0.80 FFAR1 (0.45) FFAR1FFAR4NPSR1MAPTMAPK1

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 18/4885NPSR1 195/4885

“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.