SCHEMBL514136

SCHEMBL514136

[CH2]OCOC(=O)c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 4/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
GBA1 P04062 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL514137 0.84 ALDH1A1 (0.50) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL514996 0.81 MAPT (0.46) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL10499243 0.80 MAPT (0.49) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL120324 0.80 TSHR (0.67) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL5712800 0.79 CYP3A4 (0.70) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL514478 0.78 NPC1 (0.49) ALDH1A1KDM4ETSHRGAAMAPK1
SCHEMBL24112449 0.77 MAPT (0.53) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL31575930 0.77 ALDH1A1 (0.69) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL16127330 0.77 ALDH1A1 (0.63) MAPTALDH1A1KDM4ETSHRNPSR1
SCHEMBL9277021 0.75 TSHR (0.71) ALDH1A1KDM4ETSHRSMN1; SMN2MAPK1

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 MAPT 4824/4885ALDH1A1 1574/4885KDM4E 3260/4885

“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.