SCHEMBL17973552

SCHEMBL17973552

CC(C)C(=O)N[C@H](COCc1ccccc1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.48
▸ MMP9 P14780 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ CTSK P43235 5/20 0.45
▸ CTSS P25774 4/20 0.45
▸ CTSL P07711 2/20 0.45
▸ FOLH1 Q04609 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.41
▸ TAOK3 Q9H2K8 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41

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
SCHEMBL20669514 0.85 CTSS (0.57) CTSKCTSSCTSLCTSBPPARA
SCHEMBL14521597 0.84 MME (0.55) MMEMMP9MMP14CTSKCTSS
SCHEMBL20669513 0.83 PPARA (0.64) CTSKCTSSCTSLCTSBPPARA
SCHEMBL17973549 0.81 SLC1A1 (0.42) MMEMMP9MMP14ATMHTT
SCHEMBL25139883 0.79 MME (0.55) MMEMMP9MMP14CTSKCTSS
SCHEMBL20669524 0.78 CTSS (0.63) MMP9MMP14CTSKCTSSCTSL
SCHEMBL29466819 0.75 CTSL (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL17973551 0.74 MME (0.38) MME
SCHEMBL13722844 0.74 ATM (0.51) CTSKCTSSCTSLCTSBATM
SCHEMBL17015155 0.73 ALDH1A1 (0.53) CTSKCTSSCTSLCTSBATM

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-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
US-9070885-B2 Anthracene compound and organic electroluminescence element using same JNC CORPORATION (JP) 2015-06-30 — — 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 679/4885MMP9 3633/4885MMP14 1578/4885

“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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