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Sugi Predict / Compounds / SCHEMBL19345155

SCHEMBL19345155

SCHEMBL19345155

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)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](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(N)=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 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.67
▸ PDCD1 Q15116 7/20 0.59
▸ CIB1 Q99828 4/20 0.53
▸ ACE P12821 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ EPHA2 P29317 1/20 0.47
▸ CTSG P08311 1/20 0.46
▸ LDLR P01130 2/20 0.46
▸ PCSK9 Q8NBP7 2/20 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
SCHEMBL19345448 0.99 CD274 (0.67) CD274PDCD1CIB1ACEACE2
SCHEMBL19345163 0.98 CD274 (0.67) CD274PDCD1CIB1ACEACE2
SCHEMBL18257615 0.98 CD274 (0.64) CD274PDCD1CIB1ACEACE2
SCHEMBL21548479 0.98 CD274 (0.65) CD274PDCD1CIB1ACEACE2
SCHEMBL19345623 0.98 CD274 (0.65) CD274PDCD1CIB1ACEACE2
SCHEMBL17815135 0.98 CD274 (0.67) CD274PDCD1CIB1ACEACE2
SCHEMBL17810866 0.97 CD274 (0.69) CD274PDCD1CIB1ACEACE2
SCHEMBL19340790 0.97 CD274 (0.65) CD274PDCD1CIB1ACEACE2
SCHEMBL19345167 0.97 CD274 (0.63) CD274PDCD1CIB1ACEACE2
SCHEMBL17815058 0.97 CD274 (0.63) CD274PDCD1CIB1ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-14 — — 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-20170260237-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.