SCHEMBL3630255

SCHEMBL3630255

COC(=O)CCc1ccc(NCc2ccc(OCc3cnn(C)c3-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
FFAR4 Q5NUL3 5/20 0.42
PPARA Q07869 5/20 0.41
VDR P11473 2/20 0.40
PTK2 Q05397 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
PPARD Q03181 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
SCHEMBL3630649 0.92 FFAR4 (0.52) FFAR1FFAR4PPARA
SCHEMBL11251430 0.77 FFAR1 (0.58) FFAR1FFAR4CYP11B1CYP11B2P4HTM
SCHEMBL3630663 0.77 ALDH1A1 (0.46)
SCHEMBL3627571 0.77 PDE10A (0.46) FFAR1FFAR4
SCHEMBL3632158 0.74 KCNA5 (0.38) FFAR1FFAR4
SCHEMBL4255258 0.73 MAOB (0.60) FFAR1FFAR4
SCHEMBL15265788 0.70 FFAR4 (0.69) FFAR1FFAR4
SCHEMBL15266066 0.70 FFAR4 (0.80) FFAR1FFAR4
SCHEMBL15265470 0.69 FFAR4 (0.53) FFAR1FFAR4VDR
SCHEMBL1841248 0.69 CYP11B1 (0.53) FFAR1CYP11B1CYP11B2

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 18/4885PPARA 32/4885

“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.