SCHEMBL3628663

SCHEMBL3628663

CC(C)(C)c1cc(CCc2ccccc2)n(Cc2ccc(CNc3ccc(CCC(=O)OS(C)(=O)=O)c(F)c3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 5/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
AGTR1 P30556 1/20 0.40
FFAR1 O14842 6/20 0.40
FFAR4 Q5NUL3 4/20 0.40
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
BRAF P15056 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3628658 0.91 FFAR1 (0.47) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3629951 0.89 NPSR1 (0.43) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3631098 0.89 FFAR1 (0.50) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3629850 0.86 HDAC1 (0.39) FFAR1FFAR4PTGDR2
SCHEMBL3631401 0.82 FFAR1 (0.44) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3625951 0.81 ALDH1A1 (0.42) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL13226345 0.80 FFAR1 (0.46) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3629933 0.80 FFAR1 (0.46) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3632856 0.79 FFAR1 (0.46) GAAALDH1A1RECQLNPSR1MAPT
SCHEMBL3633328 0.78 GAA (0.42) GAAALDH1A1RECQLNPSR1MAPT

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 3 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-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 GAA 2831/4885ALDH1A1 495/4885RECQL 4830/4885

“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.