SCHEMBL3628504

SCHEMBL3628504

CCOC(=O)CCc1ccc(N(Cc2cccc(-c3c(C)cc(O)cc3C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.41
FFAR4 Q5NUL3 2/20 0.40
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 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
SCHEMBL3629227 0.92 FFAR1 (0.39) FFAR1FFAR4NPSR1MAPTLMNA
SCHEMBL3623821 0.92 FFAR1 (0.40) FFAR1FFAR4NPSR1MAPTLMNA
SCHEMBL3632025 0.89 FFAR1 (0.39) FFAR1FFAR4NPSR1MAPTLMNA
SCHEMBL3624351 0.87 FFAR1 (0.42) FFAR1FFAR4DRD4ADRA1DDRD3
SCHEMBL3630289 0.87 FFAR1 (0.44) FFAR1FFAR4NPSR1ALDH1A1
SCHEMBL3633264 0.87 FFAR1 (0.41) FFAR1FFAR4MAPTKMT2AALDH1A1
SCHEMBL3624508 0.86 FFAR1 (0.47) FFAR1FFAR4NPSR1
SCHEMBL3628917 0.86 MAPT (0.35) NPSR1MAPTLMNAKMT2AALDH1A1
SCHEMBL3630380 0.86 FFAR1 (0.45) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3631312 0.85 FFAR1 (0.49) FFAR1FFAR4NPSR1MAPTKMT2A

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 5 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-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 18/4885NPSR1 195/4885

“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.