SCHEMBL19410182

SCHEMBL19410182

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ TPSAB1 Q15661 2/20 0.37
▸ TPSD1 Q9BZJ3 2/20 0.37
▸ TPSG1 Q9NRR2 2/20 0.37
▸ LMNA P02545 1/20 0.34
▸ PTPRC P08575 2/20 0.33

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
SCHEMBL19410213 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL19410217 0.82 TPSAB1 (0.37) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL18171779 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL19410130 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1GAAMEN1
Hydrochloric Acid SCHEMBL19410134 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL19420852 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL2762363 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL3571941 0.74 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1GAAMEN1
SCHEMBL19410199 0.73 PLK1 (0.46) ALDH1A1
SCHEMBL19410131 0.72 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2TPSAB1

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 2736/4885NPC1 3367/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885KDM4E 2736/4885NPC1 3367/4885

“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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