SCHEMBL15344147

SCHEMBL15344147

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.61
CTSK P43235 5/20 0.61
REN P00797 6/20 0.59
NPY5R Q15761 3/20 0.50
NPY1R P25929 2/20 0.50
NPY4R P50391 2/20 0.50
ACE P12821 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 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
SCHEMBL2801456 0.89 CTSS (0.66) CTSSCTSKRENACECTSL
SCHEMBL2803528 0.89 CTSS (0.66) CTSSCTSKRENACECTSL
SCHEMBL31093990 0.87 CTSS (0.65) CTSSCTSKRENCTSLCTSB
SCHEMBL13413393 0.87 CTSS (0.65) CTSSCTSKRENCTSLCTSB
SCHEMBL3469005 0.86 CTSS (0.69) CTSSCTSKRENACECTSL
SCHEMBL4024913 0.86 CTSS (0.69) CTSSCTSKRENACECTSL
SCHEMBL4024908 0.86 CTSS (0.69) CTSSCTSKRENACECTSL
SCHEMBL3469003 0.86 CTSS (0.69) CTSSCTSKRENACECTSL
SCHEMBL6803377 0.85 CTSS (0.57) CTSSCTSKRENACECTSL
SCHEMBL6803380 0.85 CTSS (0.57) CTSSCTSKRENACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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 (1 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN CTSS 176/4885CTSK 492/4885REN 1517/4885

“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.