SCHEMBL17973551

SCHEMBL17973551

CC(C)C(=O)N[C@H](CO)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TGFBR1 P36897 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
SCHEMBL17973541 0.82 CAPN1 (0.31) —
SCHEMBL17973548 0.79 — —
SCHEMBL14338195 0.78 MME (0.42) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL12903772 0.78 MME (0.42) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL13380097 0.77 MME (0.53) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7327700 0.77 MME (0.53) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7032142 0.75 MME (0.36) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL108288 0.74 NPC1 (0.31) —
SCHEMBL17973550 0.74 ALDH1A1 (0.38) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL17973552 0.74 MME (0.48) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 — — 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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD MME 679/4885ALDH1A1 4149/4885THRB 773/4885

“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.

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