SCHEMBL17815100

SCHEMBL17815100

CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.60
KLKB1 P03952 9/20 0.59
PLAU P00749 2/20 0.59
KRAS P01116 2/20 0.56
NNMT P40261 2/20 0.56
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGB5 P18084 1/20 0.51
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
GRB2 P62993 1/20 0.51

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
SCHEMBL16128520 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17814956 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17815034 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17815046 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17815278 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17814954 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL16128392 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL17814971 1.00 CTSG (0.60) CTSGKLKB1PLAUKRASNNMT
SCHEMBL21553607 0.98 CTSG (0.58) CTSGKLKB1PLAUKRASNNMT
SCHEMBL16128560 0.98 KLKB1 (0.62) CTSGKLKB1PLAUKRASNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
US-9850283-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2016-06-09 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-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions CD274, PDCD1, PDCD1LG2 CTSG 2219/4885KLKB1 2417/4885PLAU 3432/4885
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 CTSG 2219/4885KLKB1 2417/4885PLAU 3432/4885

“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.