SCHEMBL3631346

SCHEMBL3631346

COC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

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
SLC10A6 Q3KNW5 1/20 0.53
PKM P14618 2/20 0.50
HIF1A Q16665 1/20 0.48
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
IDO1 P14902 1/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL3632026 0.84 SLC10A6 (0.48) ARGAASMN1; SMN2L3MBTL1SLC10A6
SCHEMBL5657592 0.83 AR (0.58) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL31661743 0.83 AR (0.58) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL29589718 0.82 AR (0.70) ARGAASMN1; SMN2L3MBTL1SLC10A6
SCHEMBL7388261 0.79 KMT2A (0.57) GAASMN1; SMN2L3MBTL1PKMMEN1
SCHEMBL4172892 0.78 KMT2A (0.56) SLC10A6PKMTHRBCA1CA2
SCHEMBL3917522 0.78 AR (0.67) ARGAASMN1; SMN2L3MBTL1SLC10A6
SCHEMBL3555679 0.78 AR (0.55) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL2691135 0.78 HDAC1 (0.61) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL3663359 0.77 AR (0.57) ARGAASMN1; SMN2L3MBTL1SLC10A6

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 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.