SCHEMBL3631090

SCHEMBL3631090

CCCN(Cc1ccc(CN(c2ccc(CCC(=O)OC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.43
PTPN1 P18031 5/20 0.40
PTPN2 P17706 2/20 0.40
PTPRF P10586 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
PTPN22 Q9Y2R2 2/20 0.36
GSTO1 P78417 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 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
SCHEMBL3628912 0.95 PTPRB (0.43) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL13253483 0.94 PTPRB (0.42) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3624503 0.91 PTGES (0.38) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL13253557 0.89 PTPRB (0.42) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3631895 0.86 PTPRB (0.41) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3627743 0.85 PTPRB (0.36) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3629354 0.83 PTGES (0.38) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3629356 0.83 PTGES (0.38) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL13226227 0.81 PTPN22 (0.38) PTPRBPTPN1PTPN2PTPRFPTPN11
SCHEMBL3631612 0.78 MEN1 (0.45) PTPN1MEN1KMT2AMMP1MMP9

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 PTPRB 989/4885PTPN1 297/4885PTPN2 723/4885

“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.