SCHEMBL6054776

SCHEMBL6054776

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
CACNA1B Q00975 2/20 0.37
NR1I2 O75469 1/20 0.37
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TP53 P04637 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL8495216 0.90 CFTR (0.38) CACNA1BNR1I2PTGDR2NR1H2NR1H3
SCHEMBL8817056 0.89 MLYCD (0.41) MLYCDMAPTLMNAPOLBHTT
SCHEMBL9117063 0.88 HTT (0.42) MAPTLMNAPOLBHTTALDH1A1
SCHEMBL8488086 0.87 MLYCD (0.40) MLYCDMAPTLMNAPOLBHTT
SCHEMBL6054814 0.87 CACNA1B (0.40) CACNA1BNR1I2ALDH1A1PTGDR2
SCHEMBL8488379 0.86 HTT (0.38) MAPTHTTALDH1A1TP53
SCHEMBL8490660 0.86 TP53 (0.36) MAPTLMNAPOLBHTTALDH1A1
SCHEMBL7689266 0.86 MAPT (0.38) MLYCDMAPTLMNAPOLBHTT
SCHEMBL8488962 0.86 CACNA1B (0.36) CACNA1BNR1I2PTGDR2
SCHEMBL6560302 0.86 CACNA1B (0.36) CACNA1BNR1I2PTGDR2NR1H2NR1H3

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213966-B1 NEW HERBICIDAL COMPOSITIONS BAYER CROPSCIENCE LTD (GB) 2006-04-19 EP claimed
US-6713434-B2 CONTROL OF WEEDS USING A SYNERGISTIC MIXTURE OF A UREA HERBICIDE AND EITHER A 4-BENZOYLISOXAZOLE OR A 2-CYANO-1,3-DIONE HERBICIDE; FOR EXAMPLE, TEBUTHIURON AND ISOXAFLUTOLE ON CEREAL OR SUGAR CANE CROPS RHONE-POULENC AGRO (FR) 2004-03-30 US claimed
US-6642176-B1 Synergystic mixtures comprising activators, organophosphorus and cyclopropylisoxazole herbicides for use on genetic engineered plants BAYER CROPSCIENCE S.A. (FR) 2003-11-04 US claimed
EP-1124421-B1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES BAYER CROPSCIENCE SA (FR) 2003-05-21 EP claimed
US-20030060368-A1 Control of weeds using a synergistic mixture of a urea herbicide and either a 4-benzoylisoxazole or a 2-cyano-1,3-dione herbicide; for example, tebuthiuron and isoxaflutole on cereal or sugar cane crops MILLET JEAN-CLAUDE (FR) 2003-03-27 US claimed
EP-1213966-A1 NEW HERBICIDAL COMPOSITIONS Bayer CropScience Limited (GB) 2002-06-19 EP claimed
US-20020028255-A1 Pesticide treatment AVENTIS CROPSCIENCE S.A. (FR) 2002-03-07 US claimed
US-20010016560-A1 Herbicidal compositions MILLET JEAN-CLAUDE (FR) 2001-08-23 US claimed
US-6239070-B1 REDUCING PHYTOTOXICITY USING 4-BENZOYLISOXAZOLE HERBICIDE;MIXTURE CONTAINING PLANT SAFENING AGENT RHONE-POULENC INC. 2001-05-29 US claimed
WO-2001017350-A1 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE UK LIMITED (GB) 2001-03-15 WO claimed
US-6156701-A Herbicidal method RHONE-POULENC AGRO (FR) 2000-12-05 US claimed
EP-1032267-A1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS AVENTIS CROPSCIENCE S.A. (FR) 2000-09-06 EP claimed
US-6069115-A BY A SINGLE POST-EMERGENT APPLICATION OF A GLYPHOSATE HERBICIDE, AND A GIVEN DERIVATIVES OF P-HYDROXYPHENYLPYRUVATE DIOXYGENASE(HPPD)-INHIBITING HERBICIDES TO GLYPHOSATE TOLERANT CROPS RHONE-POULENC AGROCHIMIE (FR) 2000-05-30 US claimed
EP-0969724-A1 HERBICIDAL METHOD RHONE POULENC AGRICULTURE LTD. (GB) 2000-01-12 EP claimed
WO-1999023886-A1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS AVENTIS CROPSCIENCE S.A. (FR) 1999-05-20 WO claimed
US-5905057-A CONTROLLING WEED GROWTH RHONE-POULENC AGROCHIMIE (FR) 1999-05-18 US claimed
US-5837652-A SYNERGISTIC COMBINATION OF 4-BENZOYLISOXAZOLE AND BROMOXYNIL RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-11-17 US claimed
WO-1998039971-A1 HERBICIDAL METHOD RHONE POULENC AGRICULTURE LTD. (GB) 1998-09-17 WO claimed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020028255-A1 Pesticide treatment DDT, HAAO, HAO2 MLYCD 1248/4885CACNA1B 2824/4885NR1I2 3263/4885
US-20030060368-A1 Control of weeds using a synergistic mixture of a urea herbicide and either a 4-benzoylisoxazole or a 2-cyano-1,3-dione herbicide; for example, tebuthiuron and isoxaflutole on cereal or sugar cane crops WEE1, GYS1, NOTUM MLYCD 352/4885CACNA1B 2461/4885NR1I2 3793/4885
US-20010016560-A1 Herbicidal compositions DDT, IDUA, CYP4X1 MLYCD 946/4885CACNA1B 2292/4885NR1I2 2487/4885

“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.