SCHEMBL24178268

SCHEMBL24178268

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.47
▸ FNTB P49356 4/20 0.47
▸ PGGT1B P53609 4/20 0.47
▸ GNPAT O15228 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KISS1R Q969F8 1/20 0.46
▸ NPY4R P50391 6/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ NPY2R P49146 3/20 0.44
▸ NPY5R Q15761 3/20 0.44
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL21360283 0.92 GNPAT (0.52) GNPATSMN1; SMN2KISS1RNPY4RNPY1R
SCHEMBL30045721 0.88 KISS1R (0.55) FNTAFNTBPGGT1BGNPATKISS1R
SCHEMBL24178267 0.86 SIRT5 (0.38) FNTAFNTBPGGT1BNPY4RNPY1R
SCHEMBL24178266 0.85 GNPAT (0.52) FNTAFNTBPGGT1BGNPATPTPN1
SCHEMBL24178265 0.85 GNPAT (0.52) FNTAFNTBPGGT1BGNPATPTPN1
SCHEMBL7368582 0.84 GNPAT (0.48) GNPATSMN1; SMN2KISS1RNPY4RNPY1R
SCHEMBL24178180 0.83 BACE1 (0.44) NPY4RNPY1RNPY2RNPY5R
SCHEMBL24178182 0.83 BACE1 (0.44) NPY4RNPY1RNPY2RNPY5R
SCHEMBL21167756 0.83 F2 (0.50) SMN1; SMN2NPY4RNPY1RNPY2RNPY5R
SCHEMBL13563435 0.82 KISS1R (0.62) GNPATKISS1RNPY4RNPY1RNPY2R

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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof YALE UNIVERSITY (US) 2024-02-27 — — US disclosed
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF YALE UNIVERSITY 2022-01-06 — — 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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof LPXN, LAP3, PEPD FNTA 2531/4885FNTB 1483/4885PGGT1B 2710/4885
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF LPXN, LAP3, PEPD FNTA 2531/4885FNTB 1483/4885PGGT1B 2710/4885

“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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