SCHEMBL3632256

SCHEMBL3632256

O=C(O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccc(C(F)(F)F)cc4)cc3CCc3ccccc3)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.48
FFAR4 Q5NUL3 6/20 0.47
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
GCGR P47871 2/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3629847 0.96 FFAR1 (0.46) FFAR1FFAR4HDAC1HDAC3HDAC4
SCHEMBL3629750 0.91 FFAR1 (0.60) FFAR1FFAR4HDAC1HDAC3HDAC4
SCHEMBL3626537 0.91 PTGDR2 (0.42) FFAR1FFAR4HDAC1HDAC3HDAC4
SCHEMBL3629850 0.89 HDAC1 (0.39) FFAR1FFAR4HDAC1HDAC3HDAC4
SCHEMBL3630656 0.83 FFAR1 (0.48) FFAR1FFAR4HDAC1HDAC3HDAC4
SCHEMBL3631098 0.83 FFAR1 (0.50) FFAR1FFAR4PTGDR2
SCHEMBL3628658 0.80 FFAR1 (0.47) FFAR1FFAR4PTGDR2
SCHEMBL2824770 0.80 FFAR1 (0.55) FFAR1FFAR4PTGDR2TP53MDM2
SCHEMBL3632392 0.77 FFAR1 (0.51) FFAR1FFAR4PTGDR2
SCHEMBL2825472 0.77 TP53 (0.49) FFAR1FFAR4HDAC1HDAC3HDAC4

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 18/4885HDAC1 2049/4885

“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.