SCHEMBL1148129

SCHEMBL1148129

NC(=O)CCOc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MMP2 P08253 2/20 0.40
PDK2 Q15119 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL6993806 0.92 L3MBTL1 (0.43) L3MBTL1LTA4HPARP10PDK2PRSS1
SCHEMBL7559437 0.89 HDAC1 (0.46) PRSS1
SCHEMBL826073 0.82 L3MBTL1 (0.61) L3MBTL1LTA4HMMP2CYP1A2CYP3A4
SCHEMBL196312 0.80 MEN1 (0.46) MAPT
SCHEMBL1328579 0.80 PARP10 (0.61) L3MBTL1LTA4HPARP10CYP1A2CYP3A4
SCHEMBL17122910 0.78 LTA4H (0.48) L3MBTL1LTA4HPARP10
Hydrochloric Acid SCHEMBL30929517 0.78 PARP10 (0.59) L3MBTL1LTA4HPARP10CYP1A2CYP3A4
SCHEMBL2446705 0.78 MAPT (0.47) L3MBTL1LTA4HMAPTCYP1A2CYP3A4
SCHEMBL21660969 0.78 MMP2 (0.66) PARP10MMP2MAPTMMP1MMP3
SCHEMBL24937350 0.77 LMNA (0.48) L3MBTL1LTA4HCYP1A2CYP3A4CYP2C9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 US disclosed
EP-1513802-B1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-19 EP disclosed
US-7368479-B2 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION, INC. (US) 2008-05-06 US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 US disclosed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 EP disclosed
US-20050234125-A1 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION AG (CH) 2005-10-20 US disclosed
EP-1513802-A1 ALPHA-SULFONYLAMINO-ACETONITRILES Syngenta Participations AG (CH) 2005-03-16 EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 WO disclosed
WO-2004000797-A1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2003-12-31 WO 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 (2 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-20050234125-A1 Alpha-sulfonylamino-acetonitriles C3AR1, C1S, C5 L3MBTL1 530/4885LTA4H 2057/4885PARP10 1750/4885
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 L3MBTL1 935/4885LTA4H 2704/4885PARP10 1192/4885

“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.