SCHEMBL3624503

SCHEMBL3624503

CCCN(Cc1nc(-c2ccccc2)cs1)c1ccc(CN(c2ccc(CCC(=O)OC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
OXTR P30559 1/20 0.38
PTPRB P23467 2/20 0.38
PTPN22 Q9Y2R2 4/20 0.38
PTPN1 P18031 6/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN2 P17706 2/20 0.35

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
SCHEMBL3631090 0.91 PTPRB (0.43) PTGESALOX5PTPRBPTPN22PTPN1
SCHEMBL3628912 0.86 PTPRB (0.43) PTGESALOX5PTPRBPTPN22PTPN1
SCHEMBL13253483 0.85 PTPRB (0.42) PTGESALOX5PTPRBPTPN1MEN1
SCHEMBL3629354 0.82 PTGES (0.38) PTGESALOX5PTPRBPTPN22PTPN1
SCHEMBL3629356 0.82 PTGES (0.38) PTGESALOX5PTPRBPTPN22PTPN1
SCHEMBL13253557 0.80 PTPRB (0.42) PTGESALOX5PTPRBPTPN1MEN1
SCHEMBL3629574 0.79 MAPK1 (0.42) OXTRMEN1KMT2AALDH1A1MAPT
SCHEMBL3921153 0.79 FFAR1 (0.44) PTPN1MMP1MMP9MMP13NPSR1
SCHEMBL3627743 0.78 PTPRB (0.36) PTGESALOX5PTPRBPTPN1TDP1
SCHEMBL3631895 0.78 PTPRB (0.41) PTPRBPTPN1MMP1MMP9MMP13

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 PTGES 873/4885ALOX5 593/4885OXTR 1268/4885

“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.