SCHEMBL551858

SCHEMBL551858

CC(C)NC(=O)c1c(F)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
MLYCD O95822 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL551859 0.87 PTPN1 (0.48) ALBTP53HTTITGB2ICAM1
SCHEMBL7135256 0.86 ITGB2 (0.53) TP53HTTITGB2ICAM1ITGAL
SCHEMBL550567 0.83 POLB (0.47) ALBITGB2ICAM1ITGALPOLB
SCHEMBL45707 0.82 ITGB2 (0.40) ALBTP53HTTITGB2ICAM1
SCHEMBL551896 0.81 ALDH1A1 (0.47) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL551795 0.81 PBRM1 (0.49) ITGB2ICAM1ITGALPOLBKMT2A
SCHEMBL550366 0.81 ALDH1A1 (0.40) HTTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL25607327 0.80 ITGB1 (0.47) TP53HTTITGB2ICAM1ITGAL
SCHEMBL18885328 0.79 ITGB2 (0.58) ITGB2ICAM1ITGALPOLBGAA
SCHEMBL1203645 0.79 ITGB2 (0.47) TP53HTTITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 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 (4 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 ALB 4623/4885TP53 4720/4885HTT 1070/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 ALB 3863/4885TP53 3565/4885HTT 905/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 ALB 4337/4885TP53 3766/4885HTT 1370/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT ALB 4200/4885TP53 4654/4885HTT 1084/4885

“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.