SCHEMBL2785000

SCHEMBL2785000

C=CC(=O)NCCCCS(=O)(=O)O.[Na]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 11/20 0.41
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
APP P05067 1/20 0.35

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
SCHEMBL177994 0.98 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL29161807 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL11694993 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL27760620 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL4807878 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL5050870 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL462110 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL9625870 0.96 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL11695495 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR
SCHEMBL177827 0.96 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697912-B2 N-(1-hydroxyethyl) carboxamide compound and process for producing same SHOWA DENKO K.K. (JP) 2014-04-15 US disclosed
US-8383745-B2 Method for producing N-methyl-N-vinylacetamide having improved stability and polymerizability SHOWA DENKO K.K. (JP) 2013-02-26 US disclosed
US-20110294974-A1 N-(1-HYDROXYETHYL ) CARBOXAMIDE COMPOUND AND PROCESS FOR PRODUCING SAME SHOWA DENKO K.K. (JP) 2011-12-01 US disclosed
US-20100280204-A1 METHOD FOR PRODUCING N-METHYL-N-VINYLACETAMIDE HAVING IMPROVED STABILITY AND POLYMERIZABILITY SHOWA DENKO K.K. (JP) 2010-11-04 US disclosed
EP-2239250-A1 METHOD FOR PRODUCING N-METHYL-N-VINYLACETAMIDE HAVING IMPROVED STABILITY AND POLYMERIZABILITY Showa Denko K.K. (JP) 2010-10-13 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-20110294974-A1 N-(1-HYDROXYETHYL ) CARBOXAMIDE COMPOUND AND PROCESS FOR PRODUCING SAME ADH1A, ADH1C, CNKSR1 ZDHHC20 2180/4885ZDHHC2 1414/4885EPHX2 632/4885

“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.