SCHEMBL17814979

SCHEMBL17814979

CCCC[C@@H]1C(=O)N(C)[C@H](CCCC)C(=O)N[C@@H](CN)C(=O)N[C@@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCCC2C(=O)N[C@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CN)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCCC2C(=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 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.64
▸ PDCD1 Q15116 7/20 0.60
▸ CIB1 Q99828 4/20 0.54
▸ LDLR P01130 6/20 0.51
▸ PCSK9 Q8NBP7 6/20 0.51
▸ KLKB1 P03952 1/20 0.50

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
SCHEMBL18257597 1.00 CD274 (0.64) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL16128416 1.00 CD274 (0.64) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL19819456 0.98 CD274 (0.65) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL19749520 0.98 CD274 (0.65) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL18257637 0.98 CD274 (0.63) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL18257600 0.98 CD274 (0.62) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL16128417 0.98 CD274 (0.62) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL19749442 0.98 CD274 (0.63) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL17815328 0.98 CD274 (0.63) CD274PDCD1CIB1LDLRPCSK9
SCHEMBL16128294 0.98 CD274 (0.63) CD274PDCD1CIB1LDLRPCSK9

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 2 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-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 2/4885CIB1 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.

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