SCHEMBL3629045

SCHEMBL3629045

Cc1cccc(C)c1-c1ccc(OCC2(O)CCSCC2)c(CN(c2ccc3c(C(C)C(=O)O)coc3c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PTPN1 P18031 1/20 0.30
PTPN12 Q05209 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL3629043 1.00 PTPN22 (0.32) PTPN22NPSR1MAPTMEN1KMT2A
SCHEMBL3627665 0.82 FFAR1 (0.37) PTPN22NPSR1MEN1KMT2APTPN1
SCHEMBL3627662 0.81 FFAR1 (0.42) PTPN22NPSR1MAPTMEN1KMT2A
SCHEMBL6009129 0.79 FFAR1 (0.45) PTPN22MAPTMEN1KMT2APTPN1
SCHEMBL6009122 0.79 FFAR1 (0.45) PTPN22MAPTMEN1KMT2APTPN1
SCHEMBL3632754 0.75 FFAR1 (0.39) PTPN22FFAR1
SCHEMBL3632751 0.75 FFAR1 (0.39) PTPN22FFAR1
SCHEMBL6007749 0.73 FFAR1 (0.43) PTPN22MAPTMEN1KMT2APTPN1
SCHEMBL6007745 0.72 FFAR1 (0.46) PTPN22MAPTMEN1KMT2APTPN1
SCHEMBL3502256 0.70 NLRP3 (0.36) PTPN22NPSR1MEN1KMT2AALDH1A1

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 2 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-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US 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 PTPN22 256/4885NPSR1 195/4885MAPT 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.