SCHEMBL4767734

SCHEMBL4767734

CC(CCOC(=O)c1cncc(-c2cccs2)c1)=C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
EPHA2 P29317 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
BRAF P15056 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.35
HCK P08631 3/20 0.35
NR2C2 P49116 3/20 0.35
BTK Q06187 3/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 2/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CYP2E1 P05181 1/20 0.35

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
SCHEMBL31437962 0.77 CYP2A6 (0.52) CYP11B1CYP11B2TP53MAPTALDH1A1
SCHEMBL13692396 0.76 MKNK1 (0.51) CYP11B1CYP11B2MAPTBRAFALDH1A1
SCHEMBL4763109 0.74 MAPT (0.43) CYP11B1CYP11B2MAPTLMNACYP2C9
SCHEMBL569420 0.71 CYP2E1 (0.50) BRAFALDH1A1KDM4EKMT2ALMNA
SCHEMBL25171070 0.70 CYP2E1 (0.49) EPHA2BRAFKMT2AHCKNR2C2
SCHEMBL31016008 0.70 CYP2E1 (0.49) EPHA2BRAFKMT2AHCKNR2C2
SCHEMBL2932508 0.70 CHEK2 (0.58) CYP11B1CYP11B2BRAFCYP2C9CYP2E1
SCHEMBL30314856 0.70 CHEK2 (0.58) CYP11B1CYP11B2BRAFCYP2C9CYP2E1
SCHEMBL4767563 0.70 LMNA (0.59) ALDH1A1KMT2ALMNA
SCHEMBL13687505 0.70 CYP2E1 (0.45) EPHA2BRAFHCKNR2C2BTK

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
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM CYP11B1 1170/4885CYP11B2 1399/4885EPHA2 3150/4885

“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.