SCHEMBL3632158

SCHEMBL3632158

COC(=O)CCc1ccc(N(Cc2ccc(OCc3cnn(C)c3-c3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.38
LMNA P02545 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.36
PTPN1 P18031 4/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL3631612 0.76 MEN1 (0.45) KCNA5LMNAALDH1A1MAPTKMT2A
SCHEMBL3630255 0.74 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL3630445 0.72 FFAR1 (0.51) LMNAALDH1A1MAPTFFAR1PTPN1
SCHEMBL3630801 0.71 PTPN1 (0.40) LMNAALDH1A1MAPTKMT2AFFAR1
SCHEMBL3630417 0.70 PTGES (0.43) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL3628912 0.69 PTPRB (0.43) ALDH1A1KMT2AMEN1PTPN1PTPN2
SCHEMBL3631084 0.69 CNR1 (0.39) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL3629205 0.68 FFAR1 (0.50) LMNAALDH1A1MAPTKMT2AFFAR1
SCHEMBL3631090 0.68 PTPRB (0.43) ALDH1A1KMT2AMEN1PTPN1PTPN2
SCHEMBL3630213 0.68 FFAR1 (0.50) LMNAMAPTFFAR1

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 KCNA5 1302/4885LMNA 4270/4885ALDH1A1 495/4885

“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.