SCHEMBL19410181

SCHEMBL19410181

CC(C(=O)OC(C)(C)C)n1c(=O)n(CC(N)C(=O)O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.43
▸ GRIA2 P42262 2/20 0.43
▸ GRIA3 P42263 2/20 0.43
▸ GRIA4 P48058 2/20 0.43
▸ SLC7A5 Q01650 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 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
SCHEMBL19410179 1.00 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4SLC7A5
SCHEMBL19410217 0.83 TPSAB1 (0.37) ALDH1A1MAOANPC1GAA
SCHEMBL19410130 0.80 ALDH1A1 (0.49) GRIA1GRIA2GRIA3GRIA4SLC7A5
Hydrochloric Acid SCHEMBL19410134 0.79 ALDH1A1 (0.48) GRIA1GRIA2GRIA3GRIA4SLC7A5
SCHEMBL19410189 0.75 MDM4 (0.53) —
SCHEMBL19420853 0.75 MDM4 (0.53) —
SCHEMBL2313904 0.70 CMA1 (0.59) —
SCHEMBL2313910 0.70 CMA1 (0.59) —
SCHEMBL27767304 0.69 APEX1 (0.47) ALDH1A1MAPT
SCHEMBL2308145 0.67 POLB (0.57) ALDH1A1

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 GRIA1 2228/4885GRIA2 3532/4885GRIA3 3560/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 GRIA1 2228/4885GRIA2 3532/4885GRIA3 3560/4885

“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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