SCHEMBL2889720

SCHEMBL2889720

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
RECQL P46063 1/20 0.33
CCR2 P41597 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL2889721 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL550871 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3377825 0.89 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL551637 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL551924 0.84 HPGD (0.41) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3377959 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL550872 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3375836 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL2891824 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL550830 0.79 TAS1R3 (0.42) MEN1KMT2AALDH1A1RAB9AHPGD

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
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-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
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US 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
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MEN1 1134/4885KMT2A 765/4885ALDH1A1 1137/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MEN1 823/4885KMT2A 302/4885ALDH1A1 2697/4885

“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.