SCHEMBL19410215

SCHEMBL19410215

C[C@H](C(=O)OC(C)(C)C)n1c(=O)n(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ MDM2 Q00987 4/20 0.47
▸ CASP3 P42574 1/20 0.42
▸ SLC17A5 Q9NRA2 1/20 0.42

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
SCHEMBL19420853 1.00 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL19410189 1.00 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL19410188 1.00 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL19410124 0.87 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL15630864 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL34468451 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL15630865 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL20211701 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL16059782 0.77 MDM2 (0.55) MDM4TP53MDM2CASP3
SCHEMBL46349 0.76 MDM4 (0.55) MDM4TP53MDM2CASP3SLC17A5

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 MDM4 532/4885TP53 61/4885MDM2 980/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 MDM4 532/4885TP53 61/4885MDM2 980/4885

“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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