SCHEMBL514976

SCHEMBL514976

[CH2]OCOC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
EPHX2 P34913 4/20 0.45
TRPV1 Q8NER1 6/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL514977 0.83 TP53 (0.55) TP53HPGDSMN1; SMN2TDP1EPHX2
SCHEMBL514351 0.80 EPHX2 (0.52) TP53HPGDSMN1; SMN2TDP1EPHX2
SCHEMBL11844603 0.79 TP53 (0.54) TP53HPGDSMN1; SMN2TDP1EPHX2
SCHEMBL2721728 0.79 CA12 (0.59) TP53HPGDSMN1; SMN2TDP1EPHX2
SCHEMBL514606 0.75 TPMT (0.43) TDP1
SCHEMBL514973 0.75 LMNA (0.61) SMN1; SMN2NPC1RAB9A
SCHEMBL513611 0.75 TDP1 (0.53) SMN1; SMN2TDP1TRPV1NPC1RAB9A
SCHEMBL514539 0.74 TDP1 (0.59) HPGDSMN1; SMN2TDP1NPC1RAB9A
SCHEMBL514074 0.74 EPHX2 (0.53) TP53HPGDSMN1; SMN2TDP1EPHX2
SCHEMBL20831002 0.74 KMT2A (0.67) TP53HPGDSMN1; SMN2TDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 4267/4885HPGD 3162/4885SMN1; SMN2 4115/4885

“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.