SCHEMBL8076050

SCHEMBL8076050

COP(=O)(OC)C(NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CTSK P43235 9/20 0.34
▸ CTSS P25774 5/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL28274006 0.90 CA1 (0.34) CA1CA2CA7CTSKCTSS
SCHEMBL5877427 0.82 CYP1A2 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL19456373 0.82 CA1 (0.35) CA1CA2CA7CTSKCTSS
SCHEMBL19427034 0.82 CA2 (0.35) CA1CA2CA7CTSKCTSS
SCHEMBL16760 0.81 CA12 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL3105952 0.81 CA1 (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL13798142 0.80 — —
SCHEMBL28272672 0.77 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL16579343 0.77 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL19384747 0.76 CYP1A2 (0.50) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 — — EP disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
CN-109311943-A Macrocyclic inhibitors of PD-1/PD-L1 and CD80/PD-L1 protein/protein interactions 百时美施贵宝公司 2019-02-05 — — CN disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-6080838-A SYNTHETIC CONSTRUCT PREPARED TO HOLD TWO PEPTIDE HELICES IN TIGHT ARRANGEMENT TO MIMIC DNA BINDING CONFORMATION; FOR INVESSTIGATIONAL STUDIES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-06-27 — — 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-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CA1 4738/4885CA2 4861/4885CA7 4876/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 CA1 4738/4885CA2 4861/4885CA7 4876/4885

“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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