SCHEMBL4223929

SCHEMBL4223929

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 4/20 0.63
▸ REN P00797 13/20 0.61
▸ CTSB P07858 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP3 P08254 1/20 0.54
▸ PSEN1 P49768 1/20 0.53
▸ PSEN2 P49810 1/20 0.53
▸ APH1B Q8WW43 1/20 0.53
▸ NCSTN Q92542 1/20 0.53
▸ APH1A Q96BI3 1/20 0.53
▸ PSENEN Q9NZ42 1/20 0.53

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
SCHEMBL4223930 1.00 CTSD (0.63) CTSDRENCTSBCTSKMMP1
SCHEMBL4223937 1.00 CTSD (0.63) CTSDRENCTSBCTSKMMP1
SCHEMBL4223933 1.00 CTSD (0.63) CTSDRENCTSBCTSKMMP1
SCHEMBL14436099 0.92 CTSD (0.58) CTSDREN
SCHEMBL22928874 0.91 REN (0.71) RENCTSBCTSKMMP1MMP2
SCHEMBL20669382 0.85 CTSS (0.70) RENCTSBCTSKMMP1
SCHEMBL22928872 0.84 MMP1 (0.60) RENMMP1MMP2MMP3
SCHEMBL6897460 0.84 REN (0.73) RENCTSBCTSKPSEN1PSEN2
SCHEMBL9101385 0.84 REN (0.73) RENCTSBCTSKPSEN1PSEN2
SCHEMBL3046634 0.84 REN (0.73) RENCTSBCTSKPSEN1PSEN2

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 — — US disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 — — EP 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 4401/4885REN 243/4885CTSB 4458/4885

“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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