SCHEMBL3663359

SCHEMBL3663359

CC(Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.52
PKM P14618 2/20 0.50
THRB P10828 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
NR1I2 O75469 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL5657592 0.81 AR (0.58) ARGAASMN1; SMN2L3MBTL1HDAC1
SCHEMBL31661743 0.81 AR (0.58) ARGAASMN1; SMN2L3MBTL1HDAC1
SCHEMBL410747 0.78 AR (0.67) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL31235173 0.78 AR (0.67) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL2691135 0.78 HDAC1 (0.61) ARGAASMN1; SMN2L3MBTL1HDAC1
SCHEMBL3631346 0.77 AR (0.57) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL29589718 0.77 AR (0.70) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL3555679 0.76 AR (0.55) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL3555424 0.75 AR (0.57) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL95754 0.75 GAA (0.66) ARGAASMN1; SMN2L3MBTL1PKM

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 AR 146/4885GAA 2831/4885SMN1; SMN2 3036/4885

“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.