SCHEMBL514479

SCHEMBL514479

COCOC(=O)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
ADRB3 P13945 4/20 0.51
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8606695 0.87 TSHR (0.68) TSHRALDH1A1TP53NPC1MAPK1
SCHEMBL21953834 0.85 CES2 (0.52) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9463748 0.83 ADRB2 (0.53) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL23817386 0.83 TSHR (0.55) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL514478 0.82 NPC1 (0.49) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL18867935 0.81 TSHR (0.74) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2325118 0.81 TSHR (0.74) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29604433 0.81 TSHR (0.74) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7927977 0.80 TSHR (0.55) TSHRADRB2ADRB1ADRB3ALDH1A1
Bromide SCHEMBL38660840 0.80 TSHR (0.71) TSHRADRB2ADRB1ADRB3ALDH1A1

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 TSHR 307/4885ADRB2 2222/4885ADRB1 1763/4885

“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.