SCHEMBL19410199

SCHEMBL19410199

CC(C)(C)OC(=O)Cc1cn(CC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CDC25A P30304 1/20 0.39
▸ MCL1 Q07820 3/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ ICMT O60725 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL19410193 0.88 L3MBTL1 (0.44) PLK1L3MBTL1HDAC10HDAC6CDC25A
SCHEMBL19410228 0.84 MTNR1A (0.33) PLK1L3MBTL1HDAC10HDAC6MTNR1A
SCHEMBL30711150 0.84 L3MBTL1 (0.50) PLK1L3MBTL1HDAC10HDAC6CDC25A
SCHEMBL19410221 0.84 L3MBTL1 (0.50) PLK1L3MBTL1HDAC10HDAC6CDC25A
SCHEMBL19410200 0.80 PLK1 (0.45) PLK1L3MBTL1CDC25AMCL1FNTA
SCHEMBL19410131 0.78 SLC16A3 (0.43) L3MBTL1HDAC10HDAC6ALDH1A1MAPT
SCHEMBL31189245 0.75 TPSAB1 (0.34) L3MBTL1MTNR1AMTNR1BMAPT
SCHEMBL19410144 0.75 TPSAB1 (0.34) L3MBTL1MTNR1AMTNR1BMAPT
SCHEMBL19410182 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5956307 0.73 GAA (0.54) L3MBTL1HDAC10HDAC6CDC25AALDH1A1

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 9 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
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

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 PLK1 100/4885L3MBTL1 300/4885HDAC10 505/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 PLK1 100/4885L3MBTL1 300/4885HDAC10 505/4885

“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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