SCHEMBL17815135

SCHEMBL17815135

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCN)C(=O)N[C@H](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](CCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(=O)O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.67
PDCD1 Q15116 7/20 0.61
CIB1 Q99828 4/20 0.53
KLKB1 P03952 1/20 0.47
ACE P12821 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TET2 Q6N021 1/20 0.45
TET1 Q8NFU7 1/20 0.45
LDLR P01130 2/20 0.45
PCSK9 Q8NBP7 2/20 0.45
EPHA2 P29317 1/20 0.45

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
SCHEMBL17815362 0.98 CD274 (0.65) CD274PDCD1CIB1KLKB1ACE
SCHEMBL17815049 0.98 CD274 (0.69) CD274PDCD1CIB1KLKB1ACE
SCHEMBL21548479 0.98 CD274 (0.65) CD274PDCD1CIB1KLKB1ACE
SCHEMBL19345623 0.98 CD274 (0.65) CD274PDCD1CIB1KLKB1ACE
SCHEMBL17815066 0.98 CD274 (0.69) CD274PDCD1CIB1KLKB1ACE
SCHEMBL19340790 0.98 CD274 (0.65) CD274PDCD1CIB1KLKB1ACE
SCHEMBL17815063 0.98 CD274 (0.70) CD274PDCD1CIB1KLKB1ACE
SCHEMBL19819373 0.98 CD274 (0.68) CD274PDCD1CIB1KLKB1ACE
SCHEMBL19345163 0.98 CD274 (0.67) CD274PDCD1CIB1KLKB1ACE
SCHEMBL19345155 0.98 CD274 (0.67) CD274PDCD1CIB1KLKB1ACE

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
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-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 2/4885CIB1 1473/4885
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 2/4885CIB1 1473/4885

“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.