SCHEMBL23056463

SCHEMBL23056463

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.45
▸ MMP9 P14780 7/20 0.45
▸ MMP8 P22894 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.38
▸ MMP1 P03956 8/20 0.37
▸ MMP3 P08254 7/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MMP7 P09237 2/20 0.36
▸ MMP20 O60882 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ MMP10 P09238 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MMP15 P51511 1/20 0.36
▸ MMP16 P51512 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ MMP25 Q9NPA2 1/20 0.36
▸ MMP26 Q9NRE1 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL17920203 0.88 MMP9 (0.43) MMP2MMP9MMP8ALDH1A1MMP1
SCHEMBL13521930 0.88 MMP9 (0.43) MMP2MMP9MMP8ALDH1A1MMP1
SCHEMBL12628471 0.88 MMP9 (0.43) MMP2MMP9MMP8ALDH1A1MMP1
SCHEMBL6948928 0.86 ALDH1A1 (0.46) MMP2MMP9MMP8ALDH1A1MEN1
SCHEMBL6948920 0.86 ALDH1A1 (0.46) MMP2MMP9MMP8ALDH1A1MEN1
SCHEMBL8201292 0.86 ALDH1A1 (0.46) MMP2MMP9MMP8ALDH1A1MEN1
SCHEMBL21895901 0.83 CACNA1B (0.40) MMP2MMP9MMP8ALDH1A1LMNA
SCHEMBL21895921 0.82 MMP2 (0.58) MMP2MMP9MMP8ALDH1A1MMP1
SCHEMBL12226978 0.81 MMP9 (0.51) MMP2MMP9MMP8ALDH1A1MMP1
SCHEMBL13833235 0.81 MMP9 (0.51) MMP2MMP9MMP8ALDH1A1MMP1

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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R MMP2 1620/4885MMP9 1282/4885MMP8 2945/4885

“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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