SCHEMBL13878803

SCHEMBL13878803

CCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 16/20 0.55
▸ MMP1 P03956 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ LTA4H P09960 1/20 0.51
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL29876633 0.91 LTA4H (0.62) CTSDLTA4H
SCHEMBL31720963 0.89 CTSD (0.58) CTSDLTA4HCTSBCTSK
SCHEMBL30051502 0.89 CTSD (0.59) CTSDLTA4H
SCHEMBL34467263 0.86 ACE (0.61) CTSD
SCHEMBL30369261 0.86 CTSD (0.64) CTSDCTSBCTSK
SCHEMBL30051590 0.85 ACE (0.64) CTSD
SCHEMBL30272462 0.85 CTSD (0.59) CTSDLTA4HCTSBCTSK
SCHEMBL30368747 0.85 CTSD (0.63) CTSDCTSBCTSK
SCHEMBL14436730 0.85 CTSD (0.49) CTSDMMP1MMP2MMP3CTSB
SCHEMBL30053045 0.84 CTSD (0.61) CTSDLTA4H

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 — — 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 CTSD 4401/4885MMP1 4424/4885MMP2 4239/4885

“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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