SCHEMBL3625980

SCHEMBL3625980

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
HSD17B2 P37059 5/20 0.64
HSD17B1 P14061 3/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
PKM P14618 2/20 0.56
AR P10275 1/20 0.54
THRB P10828 1/20 0.53
UQCRB P14927 1/20 0.52
CYP19A1 P11511 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL176826 0.84 L3MBTL1 (0.66) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL31235173 0.84 AR (0.67) L3MBTL1GAASMN1; SMN2CA1CA2
SCHEMBL410747 0.84 AR (0.67) L3MBTL1GAASMN1; SMN2CA1CA2
SCHEMBL17077916 0.83 L3MBTL1 (0.65) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL7448043 0.83 L3MBTL1 (0.65) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL28270283 0.83 L3MBTL1 (0.65) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL4281895 0.82 L3MBTL1 (0.78) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL14632373 0.80 L3MBTL1 (0.61) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2
SCHEMBL4289256 0.80 L3MBTL1 (0.65) L3MBTL1GAASMN1; SMN2PKMAR
SCHEMBL8269541 0.80 L3MBTL1 (0.65) L3MBTL1HSD17B2HSD17B1GAASMN1; SMN2

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 L3MBTL1 3607/4885HSD17B2 904/4885HSD17B1 443/4885

“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.