SCHEMBL514840

SCHEMBL514840

C[CH]OC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.63
KMT2A Q03164 2/20 0.56
TRPV1 Q8NER1 3/20 0.55
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FAAH O00519 1/20 0.50

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
SCHEMBL515175 0.83 EPHX2 (0.71) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL3427239 0.79 EPHX2 (0.65) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL515174 0.79 EPHX2 (0.69) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL9070653 0.78 EPHX2 (0.73) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL2097993 0.78 RAB9A (0.50) KMT2AMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8858784 0.78 KMT2A (0.73) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL8858788 0.78 KMT2A (0.73) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL9379470 0.78 POLB (0.65) EPHX2KMT2ATRPV1MAPTL3MBTL1
SCHEMBL11555827 0.78 EPHX2 (1.00) EPHX2KMT2ATRPV1MAPTHDAC3
SCHEMBL3022084 0.77 EPHX2 (0.71) EPHX2KMT2ATRPV1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 EPHX2 1753/4885KMT2A 1766/4885TRPV1 3056/4885

“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.