SCHEMBL19410213

SCHEMBL19410213

CC(C)(C)OC(=O)Cn1c(=O)n(CC(C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TPSAB1 Q15661 2/20 0.39
▸ TPSD1 Q9BZJ3 2/20 0.39
▸ TPSG1 Q9NRR2 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ SYK P43405 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL19410182 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19410187 0.85 TPSAB1 (0.38) POLBTPSAB1TPSD1TPSG1SYK
SCHEMBL18171779 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30311889 0.76 L3MBTL1 (0.43) ALDH1A1KMT2ASMN1; SMN2POLBTPSAB1
SCHEMBL19410193 0.76 L3MBTL1 (0.44) ALDH1A1LMNATPSAB1TPSD1TPSG1
SCHEMBL16284728 0.76 SYK (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL2762363 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30311905 0.75 L3MBTL1 (0.42) ALDH1A1POLBTPSAB1TPSD1TPSG1
SCHEMBL16286028 0.74 ABCB1 (0.49) ALDH1A1SMN1; SMN2POLBTPSAB1TPSD1
SCHEMBL19410130 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 ALDH1A1 3723/4885KDM4E 2736/4885MEN1 1924/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885KDM4E 2736/4885MEN1 1924/4885

“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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