SCHEMBL20052072

SCHEMBL20052072

CCCCCCCCNC(=O)O[C@H](C)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.58
ACHE P22303 6/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46

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
SCHEMBL19508896 0.86 CHRNB2 (0.44) EPHX1ACHE
SCHEMBL19508894 0.83 EPHX1 (0.61) EPHX1ACHE
SCHEMBL11233858 0.83 EPHX1 (0.61) EPHX1ACHE
SCHEMBL19508891 0.82 EPHX1 (0.66) EPHX1ACHE
SCHEMBL10252302 0.82 EPHX1 (0.66) EPHX1ACHE
SCHEMBL10304512 0.82 EPHX1 (0.66) EPHX1ACHE
SCHEMBL27050907 0.82 EPHX1 (0.66) EPHX1ACHE
SCHEMBL29161883 0.81 EPHX1 (0.63) EPHX1ACHE
SCHEMBL16443675 0.81 EPHX1 (0.63) EPHX1ACHE
SCHEMBL10450986 0.80 EPHX1 (0.62) EPHX1ACHE

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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 EPHX1 4269/4885ACHE 3357/4885ZDHHC20 3312/4885

“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.