SCHEMBL19410221

SCHEMBL19410221

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PLK1 P53350 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ ICMT O60725 2/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ KAT2B Q92831 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL30711150 1.00 L3MBTL1 (0.50) L3MBTL1PLK1ALDH1A1MAPTRECQL
SCHEMBL19410199 0.84 PLK1 (0.46) L3MBTL1PLK1ALDH1A1MAPTRECQL
SCHEMBL19410146 0.82 SLC7A5 (0.38) L3MBTL1ALDH1A1MAPTRECQLMTNR1A
SCHEMBL30343690 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTRECQLHDAC10
SCHEMBL7434865 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTRECQLHDAC10
SCHEMBL16099677 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTRECQLHDAC10
SCHEMBL30002479 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTRECQLHDAC10
SCHEMBL16099676 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTRECQLHDAC10
SCHEMBL19410197 0.77 SLC16A3 (0.46) L3MBTL1ALDH1A1MAPTRECQLSLC7A5
SCHEMBL5956307 0.77 GAA (0.54) L3MBTL1ALDH1A1MAPTHDAC10HDAC6

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
CN-110997698-B Immunomodulatory agents acting as PD-1 antagonists 百时美施贵宝公司 2023-12-26 — — CN disclosed
CN-110997698-A Immunomodulators acting as PD-1 antagonists 百时美施贵宝公司 2020-04-10 — — CN 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 L3MBTL1 300/4885PLK1 100/4885ALDH1A1 3723/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 L3MBTL1 300/4885PLK1 100/4885ALDH1A1 3723/4885

“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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