SCHEMBL5289822

SCHEMBL5289822

CC1(C)CC(S(=O)(=O)Cc2c(F)cccc2Cl)=NO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
AKR1B1 P15121 1/20 0.46
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM4 Q14833 2/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3154109 0.91 KDM4E (0.35) KDM4EAKR1B1LMNAHTTNPSR1
SCHEMBL3162480 0.90 KDM4E (0.34) KDM4EAKR1B1LMNAHTTNPSR1
SCHEMBL14364507 0.83 GRIN1 (0.33) KDM4EAKR1B1LMNAHTTNPSR1
SCHEMBL14364508 0.81 ALDH1A1 (0.39) LMNAHTTMAPTHPGDMAPK1
SCHEMBL5435786 0.80 ALDH1A1 (0.44) KDM4EAKR1B1LMNAHTTNPSR1
SCHEMBL13588831 0.79 CA1 (0.31)
SCHEMBL3380968 0.78 KDM4E (0.33) KDM4EAKR1B1GRM4ALDH1A1
SCHEMBL20870959 0.77 SMN1; SMN2 (0.33) LMNA
SCHEMBL14320059 0.77 SLC22A12 (0.31)
SCHEMBL20855343 0.77 SMN1; SMN2 (0.33) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2007-07-12 US disclosed
WO-2007003294-A1 3-[1-HALO-1-ARYL-METHANE-SULFONYL]- AND 3-[1-HALO-1-HETEROARYL-METHANE-SULFONYL]-ISOXAZOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-01-11 WO 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-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators HDHD5, HAX1, OSR1 KDM4E 2171/4885AKR1B1 327/4885LMNA 4644/4885

“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.