SCHEMBL978385

SCHEMBL978385

CNc1c(C(F)(F)F)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
EPHX2 P34913 2/20 0.35
CRACR2A Q9BSW2 2/20 0.34
CYP17A1 P05093 1/20 0.32
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
THRB P10828 1/20 0.31
PIM1 P11309 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
AGTR1 P30556 1/20 0.31
CCKBR P32239 1/20 0.31
MC4R P32245 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
SCHEMBL8492587 0.85 DHODH (0.39) DHODHEPHX2CRACR2ACYP17A1KMT2A
SCHEMBL8887759 0.82 DHODH (0.35) DHODHEPHX2CRACR2ASMN1; SMN2
SCHEMBL27809355 0.81 DRD2 (0.30)
SCHEMBL6912863 0.80 CACNA1B (0.42) DHODHCRACR2ACYP3A4CYP2C9CYP2C19
SCHEMBL8491101 0.78 DHODH (0.37) DHODHEPHX2CRACR2ANAMPTPDE2A
SCHEMBL8391502 0.78 DHODH (0.39) DHODHEPHX2CRACR2ANPC1GMNN
SCHEMBL977770 0.78 TAS1R3 (0.37) DHODHEPHX2CRACR2ANPC1GMNN
SCHEMBL8752730 0.77 DHODH (0.39) DHODHEPHX2CRACR2AKMT2ACACNA1B
SCHEMBL8492277 0.77 DHODH (0.35) DHODHEPHX2CRACR2ANAMPTPDE2A
SCHEMBL9115632 0.77 DHODH (0.35) DHODHEPHX2CRACR2ANAMPTPDE2A

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-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
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 DHODH 1670/4885EPHX2 474/4885CRACR2A 4477/4885

“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.