SCHEMBL3630591

SCHEMBL3630591

CC(C)COc1ccc(CNc2ccc(CCC(=O)O)c(F)c2)cc1Cn1nc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.42
FFAR4 Q5NUL3 4/20 0.42
PTGER1 P34995 10/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
P2RX3 P56373 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
SCHEMBL3628406 0.91 PTGER1 (0.40) FFAR1FFAR4PTGER1P2RX3
SCHEMBL3623923 0.85 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL3631142 0.82 FFAR1 (0.49) FFAR1FFAR4PTGER1
SCHEMBL3630377 0.76 NPSR1 (0.42) FFAR1FFAR4P2RX3
SCHEMBL3629936 0.75 FFAR1 (0.42) FFAR1FFAR4PTGER1
SCHEMBL3631357 0.74 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL13226345 0.74 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL2824870 0.74 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL3632392 0.74 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL3629829 0.73 FFAR1 (0.52) FFAR1FFAR4PTGER1P2RX3

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 18/4885PTGER1 115/4885

“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.