SCHEMBL3054631

SCHEMBL3054631

CCCCCCCCCCCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.46
▸ NPY5R Q15761 6/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ PSMB5 P28074 3/20 0.46
▸ KISS1R Q969F8 1/20 0.45
▸ PTPN1 P18031 1/20 0.42
▸ REN P00797 1/20 0.41
▸ APLNR P35414 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ CCKBR P32239 1/20 0.37

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
SCHEMBL3044598 0.93 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RPSMB5
SCHEMBL30496955 0.90 PSMB5 (0.47) PSMB5KISS1RAPLNRPLA2G10SLC6A5
SCHEMBL29640331 0.90 PSMB5 (0.47) PSMB5KISS1RAPLNRPLA2G10SLC6A5
SCHEMBL30496950 0.90 PSMB5 (0.47) PSMB5KISS1RAPLNRPLA2G10SLC6A5
SCHEMBL30496929 0.90 PSMB5 (0.47) PSMB5KISS1RAPLNRPLA2G10SLC6A5
SCHEMBL3047728 0.90 NPY4R (0.62) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL28520373 0.88 PSMB5 (0.46) NPY4RNPY5RNPY1RNPY2RPSMB5
SCHEMBL9664283 0.88 SLC6A5 (0.43) PTPN1SLC6A5
SCHEMBL9666615 0.88 SLC6A5 (0.43) PTPN1SLC6A5
SCHEMBL9665952 0.88 SLC6A5 (0.43) PTPN1SLC6A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445636-B2 Antimicrobial and anticancer lipopeptides YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 2013-05-21 — — US disclosed
US-20100160213-A1 ANTIMICROBIAL AND ANTICANCER LIPOPEPTIDES YEDA RESEARCH & DEVELOPMENT CO. LTD. 2010-06-24 — — US disclosed
US-7671011-B2 Antimicrobial and anticancer lipopeptides YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 2010-03-02 — — US disclosed
US-20070072808-A1 Antimicrobial and anticancer lipopeptides YEDA RESEARCH & DEVELOPMENT CO. LTD. (US) 2007-03-29 — — 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-20100160213-A1 ANTIMICROBIAL AND ANTICANCER LIPOPEPTIDES VIP, NGLY1, SLC27A1 NPY4R 2929/4885NPY5R 3482/4885NPY1R 3541/4885
US-20070072808-A1 Antimicrobial and anticancer lipopeptides VIP, NGLY1, SLC27A1 NPY4R 2817/4885NPY5R 3683/4885NPY1R 3817/4885

“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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