SCHEMBL17810444

SCHEMBL17810444

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)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 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.62
▸ PDCD1 Q15116 7/20 0.58
▸ KLKB1 P03952 3/20 0.51
▸ CIB1 Q99828 4/20 0.50
▸ LDLR P01130 2/20 0.47
▸ PCSK9 Q8NBP7 2/20 0.47
▸ EPS15 P42566 1/20 0.47
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL16128404 1.00 CD274 (0.62) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL16128717 0.98 CD274 (0.63) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19345136 0.97 CD274 (0.60) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19345137 0.97 CD274 (0.60) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19345138 0.97 CD274 (0.60) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19754482 0.97 CD274 (0.61) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL17815027 0.97 CD274 (0.64) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19345231 0.97 CD274 (0.64) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL19345247 0.96 CD274 (0.64) CD274PDCD1KLKB1CIB1LDLR
SCHEMBL18254772 0.96 CD274 (0.65) CD274PDCD1KLKB1CIB1EPS15

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-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-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
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 (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-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.

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