SCHEMBL4919786

SCHEMBL4919786

COC1N(Cc2ccccc2N)C(=O)SC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
NOS2 P35228 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
SCHEMBL4917459 0.76 SIRT1 (0.38) SIRT2SIRT1HCRTR1HCRTR2KDM4E
SCHEMBL4910875 0.70 SIRT2 (0.39) GAASIRT2SIRT1HCRTR1HCRTR2
SCHEMBL4919762 0.65 SIRT2 (0.40) GAASIRT2SIRT1KDM4EALDH1A1
SCHEMBL10751909 0.61 BRD4 (0.43) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL4918740 0.61 SIRT2 (0.36) SIRT2SIRT1FDPS
SCHEMBL4923566 0.59 SIRT2 (0.40) SIRT2SIRT1
SCHEMBL4914804 0.59 ELANE (0.63) SIRT2SIRT1ALDH1A1FDPS
SCHEMBL39547 0.59
SCHEMBL29565534 0.59
SCHEMBL21847078 0.58 USP2 (0.47) GAAKDM4EALDH1A1HPGD

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 GAA 3128/4885SIRT2 1134/4885SIRT1 1312/4885

“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.