SCHEMBL21955437

SCHEMBL21955437

CC(=O)[C@H](CS)NC(=O)[C@@H](C)Cc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.72
▸ ECE1 P42892 11/20 0.61
▸ MMP1 P03956 1/20 0.61
▸ MMP3 P08254 1/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ APAF1 O14727 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL26817747 0.89 ACE (0.69) ACEECE1MMP1MMP3MMP9
SCHEMBL16301507 0.88 ECE1 (0.66) ACEECE1MMP1MMP3MMP9
SCHEMBL26169713 0.88 ECE1 (0.66) ACEECE1MMP1MMP3MMP9
SCHEMBL21929715 0.87 ACE (0.61) ACEECE1MMP1MMP3MMP9
SCHEMBL7854107 0.84 KDM4E (0.70) ACEECE1MMP1MMP3MMP9
SCHEMBL6165601 0.84 ACE (1.00) ACEECE1
SCHEMBL11483619 0.84 ACE (1.00) ACEECE1
SCHEMBL26168931 0.83 POLB (0.62) ACEECE1MMP1MMP3MMP9
SCHEMBL13723039 0.83 MMP9 (0.57) ACEECE1MMP1MMP3MMP9
SCHEMBL24915375 0.83 ACE (0.67) ACEECE1MMP1MMP3MMP9

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 ACE 1059/4885ECE1 657/4885MMP1 3376/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID ACE 1059/4885ECE1 657/4885MMP1 3376/4885

“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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