SCHEMBL1411642

SCHEMBL1411642

O=S(=O)(Cc1c(F)ccc(F)c1Cl)c1ncco1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 1/20 0.33
AKR1B1 P15121 1/20 0.33
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM4 Q14833 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL1411552 0.84 KDM4E (0.41) KDM4EAKR1B1MITFLMNAMAPT
SCHEMBL1411502 0.81 GRM4 (0.30) GRM4
SCHEMBL1411788 0.79 KDM4E (0.32) KDM4EAKR1B1
SCHEMBL1411476 0.78 AKR1B1 (0.44) KDM4EAKR1B1MITFLMNAMAPT
SCHEMBL1411592 0.74 PSEN1 (0.51) MAPTHPGDHTTGRM4PSEN1
SCHEMBL3891828 0.73 NPC1 (0.34) KDM4EAKR1B1MAPTMAPK1NPSR1
SCHEMBL2203131 0.70
SCHEMBL270487 0.69 PSEN1 (0.35) KDM4EP2RX7AKR1B1PSEN1PSEN2
SCHEMBL1028374 0.68 ALDH1A1 (0.41) LMNAMAPTHTTNPSR1
SCHEMBL1411527 0.68 NPC1 (0.37) KDM4EP2RX7LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190125-A1 2-(BENZYLSULFONYL)OXAZOLE DERIVATIVES, CHIRAL 2-(BENZYLSULFINYL)OXAZOLE DERIVATIVES... BAYER CROPSCIENCE AG (DE) 2011-08-04 US disclosed
EP-2294058-A1 2-(BENZYLSULFONYL)-OXAZOLE DERIVATIVES, CHIRAL 2- (BENZYLSULFINYL) -OXAZOLE DERIVATIVES AND 2-(BENZYLSULFANYL)-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-03-16 EP disclosed
WO-2009129953-A1 2-(BENZYLSULFONYL)-OXAZOLE DERIVATIVES, CHIRAL 2- (BENZYLSULFINYL) -OXAZOLE DERIVATIVES AND 2-(BENZYLSULFANYL)-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-10-29 WO disclosed
EP-2112143-A1 2-(benzylsulfonyl)-oxazol-derivatives, chiral 2-(benzylsulfinyl]-oxazol derivatives, 2-(benzylsulfanyl-oxazol) derivatives, process for their preparation, as well as their use as herbicide and plant growth regulators Bayer CropScience AG (DE) 2009-10-28 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-20110190125-A1 2-(BENZYLSULFONYL)OXAZOLE DERIVATIVES, CHIRAL 2-(BENZYLSULFINYL)OXAZOLE DERIVATIVES... BBOX1, STS, OXA1L KDM4E 1358/4885P2RX7 2308/4885AKR1B1 469/4885

“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.