SCHEMBL977553

SCHEMBL977553

CS(=O)(=O)c1c(C(=O)O)ccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KIF11 P52732 1/20 0.39
NOTUM Q6P988 3/20 0.38
KAT6A Q92794 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.35
DAO P14920 1/20 0.35
ASPH Q12797 1/20 0.35
LMNA P02545 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
MYC P01106 1/20 0.34
CES2 O00748 2/20 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
SCHEMBL27286641 0.83 ALDH1A1 (0.45) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1635205 0.81 TAS2R14 (0.41) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL978102 0.80 ALDH1A1 (0.38) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28488432 0.80 ALOX15 (0.37) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8492137 0.80 CES2 (0.44) ALOX15ALDH1A1KDM4EHSD17B10ASPH
SCHEMBL1458482 0.77 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10NOTUM
SCHEMBL8387170 0.77 LMNA (0.51) ALOX15ALDH1A1HPGDNOTUMKAT6A
SCHEMBL8387249 0.77 ALOX15 (0.39) ALOX15ALDH1A1KDM4EHSD17B10ASPH
SCHEMBL30634615 0.76 TAS2R14 (0.45) ALDH1A1KDM4EHPGDHSD17B10NOTUM
SCHEMBL1634606 0.76 TAS2R14 (0.45) ALDH1A1KDM4EHPGDHSD17B10NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188009-B2 4-(3-aminobenzoyl)-5-cyclopropylisoxazoles effective as herbicides BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2260027-B1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-06-29 EP disclosed
CN-101981016-A Effective herbicide 4- (3-aminobenzoyl) -5-cyclopropyl isoxazole BAYER CROPSCIENCE AG 2011-02-23 CN disclosed
US-20110015073-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-01-20 US disclosed
EP-2260027-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES Bayer CropScience AG (DE) 2010-12-15 EP disclosed
WO-2009118125-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2009-10-01 WO disclosed
EP-2105437-A1 4-(3-Aminobenzoyl)-5-cyclopropylisoxazols as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-09-30 EP 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-20110015073-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES CYP4X1, PRDX4, PRDX5 ALOX15 560/4885ALDH1A1 426/4885KDM4E 760/4885

“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.