SCHEMBL550826

SCHEMBL550826

CCC(C)(C)NC(=O)c1c(OS(C)(=O)=O)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 1/20 0.38
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL550827 0.90 NPSR1 (0.55) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL28769407 0.88 NPSR1 (0.39) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3374452 0.87 ALOX15 (0.41) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL2891984 0.87 NPSR1 (0.39) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3377281 0.80 CA12 (0.43) NPSR1L3MBTL1CA12CA9HTT
SCHEMBL3377686 0.80 NPSR1 (0.40) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3373569 0.79 NPSR1 (0.40) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3377825 0.79 MEN1 (0.48) NPSR1CA12CA9HTTKDM4E
SCHEMBL11775342 0.78 CA12 (0.47) ALOX15CA12CA9HTTKDM4E
SCHEMBL551924 0.78 HPGD (0.41) NPSR1L3MBTL1CA12CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
CN-101198589-A N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG (DE) 2008-06-11 CN disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 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 (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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 NPSR1 1291/4885L3MBTL1 337/4885ALOX15 2218/4885

“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.