SCHEMBL3630801

SCHEMBL3630801

CCOCCOc1ccc(-c2cc(CN(c3ccc(CCC(=O)OC)cc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.40
PTPN2 P17706 3/20 0.40
PTPN6 P29350 3/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.38
AR P10275 1/20 0.38
PTGES O14684 2/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 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
SCHEMBL3630213 0.82 FFAR1 (0.50) MAPTFFAR1LMNA
SCHEMBL3630445 0.78 FFAR1 (0.51) PTPN1MAPTALDH1A1FFAR1LMNA
SCHEMBL3625937 0.77 MAPT (0.49) MAPTALDH1A1MEN1KMT2AFFAR1
SCHEMBL3631612 0.74 MEN1 (0.45) PTPN1MAPTALDH1A1MEN1KMT2A
SCHEMBL3630041 0.74 FFAR1 (0.39) MAPTALDH1A1MEN1KMT2AFFAR1
SCHEMBL3632158 0.71 KCNA5 (0.38) PTPN1PTPN2PTPN6MAPTALDH1A1
SCHEMBL3622880 0.71 FFAR1 (0.54) MAPTFFAR1POLB
SCHEMBL3629205 0.70 FFAR1 (0.50) MAPTALDH1A1KMT2AFFAR1LMNA
SCHEMBL3630883 0.70 PTGES (0.43) MAPTALDH1A1MEN1KMT2AFFAR1
SCHEMBL3630417 0.70 PTGES (0.43) PTPN1MAPTALDH1A1MEN1KMT2A

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 PTPN1 297/4885PTPN2 723/4885PTPN6 323/4885

“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.