SCHEMBL21955442

SCHEMBL21955442

CC(C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 4/20 0.47
▸ CXCR4 P61073 3/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CALCRL Q16602 1/20 0.46

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
SCHEMBL22984879 0.95 DPP3 (0.46) DPP3CXCR4CCKBRCASP1CASP3
SCHEMBL23008651 0.91 CCKBR (0.46) DPP3CXCR4CCKBRCASP1CASP3
SCHEMBL23008652 0.90 DPP3 (0.47) DPP3CXCR4CCKBRCASP1CASP3
SCHEMBL21955932 0.88 ERBB2 (0.52) CXCR4CCKBR
SCHEMBL20614596 0.85 DPP3 (0.46) DPP3CXCR4CCKBRCASP1CASP3
SCHEMBL21955853 0.84 ERBB2 (0.52) CCKBR
SCHEMBL24245857 0.83 DPP3 (0.54) DPP3
SCHEMBL22984866 0.83 CCKBR (0.49) DPP3CCKBR
SCHEMBL21956028 0.82 IL23R (0.58) CXCR4CCKBR
SCHEMBL22753495 0.80 CASP1 (0.57) CCKBRCASP1CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 — — US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 — — US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 — — US disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 — — US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 — — 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 (6 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID DPP3 83/4885CXCR4 55/4885CCKBR 17/4885

“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.

Send feedback