SCHEMBL3630883

SCHEMBL3630883

COC(=O)CCc1ccc(N(Cc2cccc(-c3c(C)ccc4ccccc34)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.43
ALOX5 P09917 3/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
FFAR1 O14842 1/20 0.40
PTPN22 Q9Y2R2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3630445 0.84 FFAR1 (0.51) PTGESALOX5MAPTLMNAFFAR1
SCHEMBL3629205 0.82 FFAR1 (0.50) PTGESALOX5MAPTLMNAFFAR1
SCHEMBL3630213 0.82 FFAR1 (0.50) MAPTLMNAFFAR1
SCHEMBL3629724 0.80 FFAR1 (0.43) MAPTLMNAFFAR1ALDH1A1NPSR1
SCHEMBL3631612 0.79 MEN1 (0.45) MAPTLMNAALDH1A1NPSR1KMT2A
SCHEMBL3630417 0.78 PTGES (0.43) PTGESALOX5MAPTLMNAPTPN22
SCHEMBL3631084 0.77 CNR1 (0.39) PTGESALOX5MAPTLMNAPTPN22
SCHEMBL3628912 0.75 PTPRB (0.43) PTGESALOX5PTPN22ALDH1A1NPSR1
SCHEMBL3631050 0.74 FFAR1 (0.61) FFAR1
SCHEMBL1745622 0.74 FFAR1 (0.61) FFAR1

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 PTGES 873/4885ALOX5 593/4885MAPT 3293/4885

“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.