SCHEMBL13611899

SCHEMBL13611899

CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PSENEN Q9NZ42 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.31
MMP1 P03956 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
SCHEMBL27104212 0.89 POLB (0.35) POLBTRPA1CTSSCTSKPSENEN
SCHEMBL13626168 0.88 POLB (0.39) POLBTRPA1NPSR1
SCHEMBL13611898 0.88 POLB (0.39) POLBTRPA1NPSR1
SCHEMBL19318533 0.82 POLB (0.41) POLBTRPA1CTSSCTSKDPP4
SCHEMBL20440644 0.82 MMP1 (0.37) CTSSCTSKMMP1
SCHEMBL2757967 0.82 POLB (0.41) POLBTRPA1CTSSCTSKDPP4
SCHEMBL19318580 0.82 POLB (0.41) POLBTRPA1CTSSCTSKDPP4
SCHEMBL17407698 0.79 POLB (0.42) POLBNPSR1
SCHEMBL19319079 0.78 CTSS (0.41) POLBTRPA1CTSSCTSKDPP4
SCHEMBL19319110 0.78 CTSS (0.41) POLBTRPA1CTSSCTSKDPP4

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR POLB 2096/4885TRPA1 4846/4885CTSS 1097/4885

“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.