SCHEMBL271653

SCHEMBL271653

COC(=O)c1nccnc1N(CC(F)F)S(=O)(=O)Cc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MMP9 P14780 5/20 0.32
MMP1 P03956 3/20 0.32
MMP13 P45452 3/20 0.32
CFTR P13569 1/20 0.32
NOTUM Q6P988 1/20 0.32
ADAM17 P78536 1/20 0.32
MMP3 P08254 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32

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
SCHEMBL271739 0.90 MAPT (0.34) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL271178 0.90 MAPT (0.37) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL271755 0.89 MAPT (0.41) MAPTKDM4ECYP3A4CYP2C19POLB
SCHEMBL269838 0.88 POLQ (0.38) MAPTKDM4ECFTRMMP3KLRK1
SCHEMBL272118 0.85 KEAP1 (0.35) KDM4EGAAMMP9MMP13MAPK1
SCHEMBL270767 0.84 NOTUM (0.34) NOTUM
SCHEMBL271758 0.82 MAPT (0.41) MAPTKDM4E
SCHEMBL270665 0.81 BMP1 (0.38) KDM4EMMP13
SCHEMBL272180 0.81 NOTUM (0.33) MAPTNOTUM
SCHEMBL272015 0.80 MRGPRX4 (0.36) MAPTGAANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 US 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 MAPT 4241/4885HDAC3 573/4885HDAC1 508/4885

“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.