SCHEMBL1874504

SCHEMBL1874504

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(I)cccc2OC(C)C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.33
SLC6A9 P48067 1/20 0.32
FFAR2 O15552 1/20 0.32
DHODH Q02127 4/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1111406 0.94 GAA (0.40) GAAMAPTSLC6A9DHODHALDH1A1
SCHEMBL1869173 0.86 MAPT (0.41) GAAMAPTSLC6A9FFAR2ALDH1A1
SCHEMBL1868502 0.86 GAA (0.53) GAAMAPTSLC6A9
SCHEMBL1111417 0.86 TSHR (0.40) GAAMAPTDHODHALDH1A1ALOX15
SCHEMBL1873383 0.83 GAA (0.48) GAAMAPTSLC6A9DHODHALDH1A1
SCHEMBL2622465 0.81 GAA (0.39) GAAMAPTALDH1A1ALOX15KDM4E
SCHEMBL29489600 0.77 ALDH1A1 (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL29360781 0.77 ALDH1A1 (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL987879 0.77 ALDH1A1 (0.46) GAAMAPTALDH1A1KDM4ENPC1
Isopropylamine SCHEMBL2895400 0.76 ALDH1A1 (0.43) GAAMAPTALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105324-A1 Herbicidal Compounds Based on N-Azinyl-N-Phenylsulfonylureas BAYER CROPSCIENCE AG (DE) 2011-05-05 US 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-20110105324-A1 Herbicidal Compounds Based on N-Azinyl-N-Phenylsulfonylureas DDT, AZI2, PFAS GAA 143/4885MAPT 4530/4885SLC6A9 1568/4885

“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.