SCHEMBL20051872

SCHEMBL20051872

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL19500204 0.91 PRKCA (0.37) PRKCAGRM1
SCHEMBL11750627 0.80 ALDH1A1 (0.42) PRKCATSHRCYP3A4ATMTDP1
SCHEMBL18067516 0.78 TSHR (0.41) PRKCATSHRCYP3A4TDP1GRM1
SCHEMBL19500212 0.76 ALDH1A1 (0.50) GRM1
SCHEMBL12306241 0.76 ALDH1A1 (0.50) GRM1
SCHEMBL12267797 0.73 TSHR (0.37) PRKCATSHRCYP3A4ATMTDP1
SCHEMBL20051874 0.73 GRM1 (0.48) TSHRTDP1GRM1
SCHEMBL19500206 0.73 GRM1 (0.35) PRKCATSHRGRM1
SCHEMBL19500079 0.72 TSHR (0.37) PRKCATSHR
SCHEMBL12707569 0.72 TSHR (0.32) PRKCATSHRCYP3A4ATMTDP1

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 PRKCA 4092/4885TSHR 4224/4885CYP3A4 2199/4885

“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.