SCHEMBL3629936

SCHEMBL3629936

CCOC(=O)CCc1ccc(NCc2ccc(OCC(C)C)c(Cn3nc(-c4ccccc4)cc3-c3ccccc3)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
FFAR4 Q5NUL3 4/20 0.42
PTGER1 P34995 6/20 0.40
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3631142 0.92 FFAR1 (0.49) FFAR1FFAR4PTGER1TP53MDM2
SCHEMBL3625767 0.88 FFAR1 (0.44) FFAR1FFAR4ALDH1A1MEN1KMT2A
SCHEMBL3628512 0.87 FFAR1 (0.46) FFAR1FFAR4TP53MDM2ALDH1A1
SCHEMBL3628406 0.82 PTGER1 (0.40) FFAR1FFAR4PTGER1
SCHEMBL3629730 0.82 ALDH1A1 (0.40) FFAR1FFAR4TP53MDM2ALDH1A1
SCHEMBL3627556 0.80 FFAR1 (0.51) FFAR1FFAR4TP53MDM2
Hydrochloric Acid SCHEMBL3632760 0.79 FFAR1 (0.50) FFAR1FFAR4TP53MDM2
SCHEMBL13226461 0.79 FFAR1 (0.53) FFAR1FFAR4TP53MDM2
Hydrochloric Acid SCHEMBL3632331 0.78 FFAR1 (0.52) FFAR1FFAR4TP53MDM2
SCHEMBL3632856 0.77 FFAR1 (0.46) FFAR1FFAR4ALDH1A1

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.