SCHEMBL16245642

SCHEMBL16245642

Cc1c(NC(=O)OC(C)(C)C)noc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP17A1 P05093 2/20 0.33
ATR Q13535 1/20 0.33
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LCK P06239 2/20 0.32
IDO1 P14902 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL3175510 0.84 CA1 (0.36) CA1CA2CA12CA9PSMB8
SCHEMBL16245702 0.83 CA1 (0.34) CA1CA2CA12CA9PSMB8
SCHEMBL16935092 0.79 ALDH1A1 (0.38)
SCHEMBL27042890 0.79 CYP17A1 (0.34) CA1CA2CA12CA9PSMB8
SCHEMBL2478448 0.77 IDO1 (0.56) IDO1
SCHEMBL24049964 0.75 KDM4E (0.49) CA1CA2CA12CA9PSMB8
SCHEMBL5320893 0.75 CA1 (0.35) CA1CA2CA12CA9PSMB8
SCHEMBL5347897 0.75 CA1 (0.36) CA1CA2CA12CA9PSMB8
SCHEMBL4411003 0.73 CA1 (0.36) CA1CA2CA12CA9PSMB8
SCHEMBL31319651 0.73 GABRA5 (0.36) CA1CA2CA12CA9PSMB8

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 1448/4885CA12 4317/4885

“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.