SCHEMBL19410200

SCHEMBL19410200

CC(C)COC(=O)Cc1cn(CC(C(=O)O)N(C(=O)OCC(C)C)C(=O)OCC(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.45
▸ CDC25A P30304 1/20 0.39
▸ ICMT O60725 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ NR1D1 P20393 1/20 0.38
▸ MCL1 Q07820 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19410194 0.89 PLK1 (0.42) PLK1CDC25AICMTL3MBTL1FNTA
SCHEMBL19410199 0.80 PLK1 (0.46) PLK1CDC25AICMTL3MBTL1FNTA
SCHEMBL19410132 0.79 RECQL (0.40) L3MBTL1ALDH1A1KDM4EMAPTRECQL
SCHEMBL19410193 0.72 L3MBTL1 (0.44) PLK1CDC25AL3MBTL1FNTAFNTB
SCHEMBL28365640 0.71 PLK1 (0.67) PLK1CDC25AICMTNR1D1MCL1
SCHEMBL30711150 0.68 L3MBTL1 (0.50) PLK1CDC25AICMTL3MBTL1ALDH1A1
SCHEMBL19410221 0.68 L3MBTL1 (0.50) PLK1CDC25AICMTL3MBTL1ALDH1A1
SCHEMBL18171795 0.67 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL28370041 0.66 PLK1 (0.66) PLK1CDC25AICMTMCL1ALDH1A1
SCHEMBL27924069 0.65 L3MBTL1 (0.59) L3MBTL1MCL1ALDH1A1KDM4EMAPT

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 5 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
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
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 100/4885CDC25A 152/4885ICMT 3425/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 PLK1 100/4885CDC25A 152/4885ICMT 3425/4885

“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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