SCHEMBL3630445

SCHEMBL3630445

COC(=O)CCc1ccc(N(Cc2cccc(-c3c(C)cc(OCc4ccccc4)cc3C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.51
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3630213 0.90 FFAR1 (0.50) FFAR1LMNAMAPT
SCHEMBL3629205 0.90 FFAR1 (0.50) FFAR1PTGESALOX5ALDH1A1LMNA
SCHEMBL3630883 0.84 PTGES (0.43) FFAR1PTGESALOX5ALDH1A1LMNA
SCHEMBL3629724 0.81 FFAR1 (0.43) FFAR1ALDH1A1LMNAMAPT
SCHEMBL3631612 0.78 MEN1 (0.45) PTPN1ALDH1A1LMNAMAPT
SCHEMBL3630801 0.78 PTPN1 (0.40) FFAR1PTGESALOX5PTPN1ALDH1A1
SCHEMBL3624508 0.78 FFAR1 (0.47) FFAR1PTPN1
SCHEMBL5107812 0.78 FFAR1 (0.82) FFAR1
SCHEMBL3628504 0.77 FFAR1 (0.41) FFAR1ALDH1A1LMNAMAPT
SCHEMBL3624351 0.77 FFAR1 (0.42) 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 FFAR1 5/4885PTGES 873/4885ALOX5 593/4885

“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.