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SCHEMBL17811152

SCHEMBL17811152

CCCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCSC)C(=O)N1C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.73
▸ PDCD1 Q15116 7/20 0.72
▸ KLKB1 P03952 4/20 0.56
▸ CIB1 Q99828 3/20 0.54
▸ PLAU P00749 1/20 0.50
▸ PCSK9 Q8NBP7 1/20 0.50
▸ KLK5 Q9Y337 1/20 0.50
▸ NECTIN4 Q96NY8 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
SCHEMBL19754542 1.00 CD274 (0.73) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL17811124 0.99 CD274 (0.71) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL19754521 0.99 CD274 (0.71) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL17811164 0.99 CD274 (0.71) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL17811137 0.97 CD274 (0.76) CD274PDCD1KLKB1CIB1PCSK9
SCHEMBL17811128 0.97 CD274 (0.76) CD274PDCD1KLKB1CIB1PCSK9
SCHEMBL18254848 0.97 CD274 (0.77) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL19754569 0.97 CD274 (0.77) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL19754541 0.97 CD274 (0.70) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL17811170 0.97 CD274 (0.70) CD274PDCD1KLKB1CIB1PLAU

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-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 — — US disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 — — US 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-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 CD274 1/4885PDCD1 2/4885KLKB1 2417/4885
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1 2/4885KLKB1 2417/4885

“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.