SCHEMBL22753495

SCHEMBL22753495

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ EDNRA P25101 1/20 0.55
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 7/20 0.53
▸ MMP2 P08253 3/20 0.53
▸ MMP1 P03956 3/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ MMP9 P14780 1/20 0.52
▸ CCKAR P32238 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ ERBB2 P04626 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49

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
SCHEMBL31171646 0.85 ACE (0.62) CASP1CASP3CASP7EDNRAACE
SCHEMBL31171654 0.83 ACE (0.59) CASP1CASP3CASP7EDNRAACE
SCHEMBL31171653 0.82 CASP1 (0.58) CASP1CASP3CASP7EDNRAACE
SCHEMBL31220181 0.81 CASP1 (0.60) CASP1CASP3CASP7EDNRAACE
SCHEMBL31171681 0.81 CASP1 (0.57) CASP1CASP3CASP7EDNRAACE
SCHEMBL31171635 0.81 CASP1 (0.55) CASP1CASP3CASP7EDNRAACE
SCHEMBL14015903 0.81 CASP1 (0.55) CASP1CASP3CASP7EDNRAACE
SCHEMBL31171651 0.81 ACE (0.59) CASP1CASP3CASP7EDNRAACE
SCHEMBL21955442 0.80 DPP3 (0.47) CASP1CASP3CASP7CCKBR
SCHEMBL10316474 0.80 CASP1 (0.56) CASP1CASP3CASP7EDNRAACE

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-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 — — US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 — — 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID CASP1 1529/4885CASP3 623/4885CASP7 833/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID CASP1 1529/4885CASP3 623/4885CASP7 833/4885

“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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