SCHEMBL2910656

SCHEMBL2910656

O=S(=O)(O)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN1 Q05586 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
VNN1 O95497 1/20 0.38
SLC6A3 Q01959 3/20 0.38
DRD2 P14416 2/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 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
SCHEMBL8883642 0.98 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL2376083 0.83 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL3127823 0.83 GRIN2B (0.42) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL271043 0.83 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL2376077 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL270517 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL9807522 0.82 LMNA (0.40) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL14378227 0.81 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL14426955 0.78 MEN1 (0.40) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL3630675 0.77 HTT (0.50) GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 US disclosed
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 WO 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 HDAC3 573/4885HDAC1 508/4885HDAC2 953/4885

“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.