SCHEMBL21955470

SCHEMBL21955470

CC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.44
▸ LNPEP Q9UIQ6 3/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL23380979 0.92 LNPEP (0.43) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL21955489 0.92 LNPEP (0.43) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL23380976 0.91 LNPEP (0.42) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL29918691 0.86 SLC15A2 (0.48) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL27638943 0.81 ITGB2 (0.57) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL21529460 0.80 REN (0.46) RENSLC15A2ITGB2ICAM1ITGAL
SCHEMBL28354383 0.80 REN (0.46) RENSLC15A2ITGB2ICAM1ITGAL
SCHEMBL29402685 0.79 SLC15A2 (0.48) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL28101252 0.79 LNPEP (0.51) RENLNPEPSLC15A2ANPEPCYP3A4
SCHEMBL21838312 0.77 SLC15A2 (0.54) RENLNPEPSLC15A2ANPEPCYP3A4

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-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 — — US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 — — 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID REN 1359/4885LNPEP 12/4885SLC15A2 3028/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID REN 1359/4885LNPEP 12/4885SLC15A2 3028/4885

“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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