SCHEMBL4917459

SCHEMBL4917459

COC1N(Cc2ccccc2N)C(=O)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GRM5 P41594 1/20 0.33
IDO1 P14902 1/20 0.33
HSD11B1 P28845 1/20 0.32
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
PRTN3 P24158 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
TNKS O95271 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RCE1 Q9Y256 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL4919762 0.81 SIRT2 (0.40) SIRT1SIRT2GRM5IDO1ELANE
SCHEMBL4919786 0.76 GAA (0.36) SIRT1SIRT2HCRTR1HCRTR2KDM4E
SCHEMBL4914804 0.68 ELANE (0.63) SIRT1SIRT2ELANECTSGPRTN3
SCHEMBL4923566 0.65 SIRT2 (0.40) SIRT1SIRT2
SCHEMBL4918740 0.64 SIRT2 (0.36) SIRT1SIRT2GRM5ELANECTSG
SCHEMBL4910875 0.61 SIRT2 (0.39) SIRT1SIRT2HCRTR1HCRTR2KDM4E
SCHEMBL10751909 0.61 BRD4 (0.43) SIRT1SIRT2ELANECTSGPRTN3
SCHEMBL4030757 0.60 FDPS (0.43) KDM4EALDH1A1HPGDRCE1FDPS
SCHEMBL4919164 0.60 MAPK1 (0.39) SIRT1SIRT2KDM4EALDH1A1HPGD
SCHEMBL513344 0.59 SIRT2 (0.40) SIRT1SIRT2ALDH1A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2008-11-06 US disclosed
EP-1852425-A1 NOVEL HALOALKYLSULFONANILIDE DERIVATIVE, HERBICIDE, AND METHOD OF USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 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-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof HDHD5, DDT, CBR3 SIRT1 1312/4885SIRT2 1134/4885GRM5 4095/4885

“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.