SCHEMBL16245702

SCHEMBL16245702

CC(C)(C)OC(=O)Nc1noc(C(C)(C)C)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
PSMB8 P28062 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP17A1 P05093 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATR Q13535 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SYK P43405 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
NAMPT P43490 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL5320893 0.83 CA1 (0.35) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL16245642 0.83 CA1 (0.35) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL16935092 0.75 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL5347897 0.74 CA1 (0.36) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL3175510 0.73 CA1 (0.36) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL24049964 0.71 KDM4E (0.49) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL11645385 0.69 KDM4E (0.35) TDP1
SCHEMBL4411003 0.69 CA1 (0.36) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL31319651 0.69 GABRA5 (0.36) CA1CA2PSMB8HDAC3HDAC1
SCHEMBL29953477 0.69 CA1 (0.33) CA1CA2PSMB8HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9936701-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2018-04-10 US disclosed
US-9936701-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2018-04-10 US disclosed
US-9936701-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2018-04-10 US disclosed
EP-2993986-B1 HERBICIDAL ISOXAZOLYL SUBSTITUTED PYRROLONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-10 EP disclosed
EP-2993986-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-03-16 EP disclosed
US-20160066574-A1 Herbicidal Compounds SYNGENTA LIMITED (GB) 2016-03-10 US disclosed
US-20160066574-A1 Herbicidal Compounds SYNGENTA LIMITED (GB) 2016-03-10 US disclosed
US-20160066574-A1 Herbicidal Compounds SYNGENTA LIMITED (GB) 2016-03-10 US disclosed
WO-2014180740-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 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-20160066574-A1 Herbicidal Compounds CBR3, DDT, RDX CA1 2317/4885CA2 1448/4885PSMB8 3177/4885

“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.