SCHEMBL514005

SCHEMBL514005

[CH2]OC(=O)N(C)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.45
LIPE Q05469 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
POLB P06746 2/20 0.40
PIK3CA P42336 1/20 0.40
CA4 P22748 1/20 0.40
PAX8 Q06710 2/20 0.40
TLR9 Q9NR96 1/20 0.40
HPGD P15428 1/20 0.39
ESR1 P03372 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL10481539 0.86 TSPO (0.47) TSPOLIPEGPBAR1CA1CA2
SCHEMBL7816426 0.82 TSPO (0.47) TSPOLIPEGPBAR1CA1CA2
SCHEMBL12574308 0.82 TSPO (0.50) TSPOGPBAR1CA1CA2CA12
SCHEMBL2536563 0.80 TSPO (0.67) TSPOGPBAR1CA1CA2CA12
SCHEMBL8779753 0.80 TSPO (0.53) TSPOGPBAR1CA1CA2CA12
SCHEMBL27808345 0.80 LIPE (0.46) TSPOLIPEGPBAR1POLBPIK3CA
SCHEMBL9955764 0.79 TSPO (0.47) TSPOLIPEGPBAR1CA1CA2
SCHEMBL10939691 0.79 TSPO (0.47) TSPOLIPEGPBAR1CA1CA2
SCHEMBL7824932 0.78 TSPO (0.44) TSPOGPBAR1POLBPIK3CAPAX8
SCHEMBL28147702 0.78 TSPO (0.47) TSPOLIPEGPBAR1CA1CA2

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 TSPO 4798/4885LIPE 999/4885GPBAR1 3828/4885

“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.