SCHEMBL978102

SCHEMBL978102

CNc1c(C(F)(F)F)ccc(C(=O)O)c1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP14 P50281 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
CLCN2 P51788 1/20 0.36
NOTUM Q6P988 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.36
RBP4 P02753 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIK1 P39086 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL977553 0.80 ALOX15 (0.40) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL27286641 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL976634 0.79 L3MBTL1 (0.34) KMT2ARBP4CYP3A4CYP2C9CYP2C19
SCHEMBL1635205 0.77 TAS2R14 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL28488432 0.77 ALOX15 (0.37) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL17672966 0.73 TAS2R14 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27809355 0.73 DRD2 (0.30)
SCHEMBL978250 0.73 CYP11B1 (0.32) KMT2A
SCHEMBL28237620 0.70 CTSS (0.35) MAPTSMN1; SMN2CLCN2NOTUMKIF11
SCHEMBL21416407 0.68 KIF11 (0.36) KMT2ATAS2R14KIF11

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 ALDH1A1 426/4885MEN1 4795/4885KMT2A 1230/4885

“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.