SCHEMBL23331376

SCHEMBL23331376

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 10/20 0.54
▸ BACE1 P56817 1/20 0.52
▸ BACE2 Q9Y5Z0 1/20 0.52
▸ KISS1R Q969F8 3/20 0.52
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ PSEN1 P49768 2/20 0.49
▸ PSEN2 P49810 2/20 0.49
▸ APH1B Q8WW43 2/20 0.49
▸ NCSTN Q92542 2/20 0.49
▸ APH1A Q96BI3 2/20 0.49
▸ PSENEN Q9NZ42 2/20 0.49
▸ REN P00797 2/20 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
SCHEMBL23331375 1.00 CTSD (0.54) CTSDBACE1BACE2KISS1RCTSB
SCHEMBL23331574 0.93 CTSD (0.55) CTSDBACE1BACE2KISS1R
SCHEMBL23331572 0.93 CTSD (0.55) CTSDBACE1BACE2KISS1R
SCHEMBL23331377 0.91 KISS1R (0.57) CTSDBACE1BACE2KISS1R
SCHEMBL23330932 0.91 CTSD (0.56) CTSDREN
SCHEMBL23331576 0.90 CDK4 (0.52) CTSDKISS1RCTSBCTSKREN
SCHEMBL23331564 0.90 CTSD (0.51) CTSDKISS1RCTSBCTSKREN
SCHEMBL20714183 0.89 KISS1R (0.55) CTSDKISS1RPSEN1PSEN2APH1B
SCHEMBL23331147 0.88 KISS1R (0.54) CTSDKISS1RPSEN1PSEN2APH1B
SCHEMBL20714303 0.88 KISS1R (0.54) CTSDKISS1RPSEN1PSEN2APH1B

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-11364275-B2 Linear lipopeptide paenipeptins and methods of using the same BIOVENTURES, LLC (US) 2022-06-21 — — US disclosed
US-20210128669-A1 LINEAR LIPOPEPTIDE PAENIPEPTINS AND METHODS OF USING THE SAME BIOVENTURES, LLC (US) 2021-05-06 — — 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 (2 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-11364275-B2 Linear lipopeptide paenipeptins and methods of using the same NGLY1, VIP, CLPTM1 CTSD 1815/4885BACE1 1709/4885BACE2 3380/4885
US-20210128669-A1 LINEAR LIPOPEPTIDE PAENIPEPTINS AND METHODS OF USING THE SAME NGLY1, VIP, CLPTM1 CTSD 1815/4885BACE1 1709/4885BACE2 3380/4885

“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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