SCHEMBL20051870

SCHEMBL20051870

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM1 Q13255 2/20 0.36
ALOX15 P16050 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CTSK P43235 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL6100871 1.00 MEN1 (0.36) MEN1CYP2C19RECQLKMT2AGRM1
SCHEMBL6429917 0.83 CYP2D6 (0.38) CYP2C19GRM1MMP1MMP2MMP3
SCHEMBL6441153 0.83 LMNA (0.39) GRM1LMNAMMP1MMP2MMP3
SCHEMBL13856074 0.80 MEN1 (0.33) MEN1CYP2C19RECQLKMT2ALMNA
SCHEMBL24083140 0.79 MEN1 (0.35) MEN1CYP2C19RECQLKMT2AALOX15
SCHEMBL19500208 0.79 TRPA1 (0.39) CYP2C19GRM1ALDH1A1MMP1MMP2
SCHEMBL19500202 0.79 GRM1 (0.33) GRM1MMP1MMP2MMP3MMP9
SCHEMBL21366506 0.79 MMP1 (0.32) GRM1LMNAMMP1MMP2MMP3
SCHEMBL6442342 0.79 LMNA (0.45) GRM1LMNAALDH1A1MMP1MMP2
SCHEMBL6100107 0.79 MMP1 (0.32) GRM1MMP1MMP2MMP3MMP9

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 MEN1 3463/4885CYP2C19 2032/4885RECQL 1241/4885

“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.