SCHEMBL550488

SCHEMBL550488

CSCC(C)(C)NC(=O)c1cccc(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALB P02768 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.35
PLK1 P53350 2/20 0.35
PLK3 Q9H4B4 1/20 0.35
MAPT P10636 2/20 0.34
SORT1 Q99523 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL550487 0.90 ALB (0.40) PTPN1NPSR1L3MBTL1CES2CES1
SCHEMBL551443 0.84 NPSR1 (0.38) NPSR1L3MBTL1RAB9APOLBMAPT
SCHEMBL551672 0.84 PBRM1 (0.42) NPSR1L3MBTL1POLBMAPTSORT1
SCHEMBL552006 0.84 NPSR1 (0.38) PTPN1NPSR1L3MBTL1GAAPOLB
SCHEMBL5716656 0.83 PTPN1 (0.40) PTPN1CES2CES1ALBRAB9A
SCHEMBL550320 0.80 KMT2A (0.50) NPSR1L3MBTL1POLBMAPTMEN1
Iodide SCHEMBL29459706 0.79 KMT2A (0.49) NPSR1L3MBTL1POLBMAPTMEN1
SCHEMBL3377641 0.79 NPSR1 (0.40) PTPN1NPSR1L3MBTL1MAPTCYP3A4
SCHEMBL2891988 0.78 NPSR1 (0.41) PTPN1NPSR1L3MBTL1POLBMAPT
SCHEMBL3373572 0.77 NPSR1 (0.43) PTPN1NPSR1L3MBTL1POLBMAPT

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 10 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP 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
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US 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 (3 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 PTPN1 3272/4885NPSR1 1291/4885L3MBTL1 337/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 PTPN1 1425/4885NPSR1 687/4885L3MBTL1 361/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT PTPN1 1606/4885NPSR1 1470/4885L3MBTL1 518/4885

“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.