SCHEMBL19410121

SCHEMBL19410121

CC(C)(C)OC(=O)Cn1nc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.48
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 7/20 0.44
▸ PPARA Q07869 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSK P43235 4/20 0.41
▸ CTSL P07711 3/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ ELANE P08246 1/20 0.40

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
SCHEMBL19410123 1.00 SLC16A3 (0.48) SLC16A3ITGB3ITGA2BPPARASYK
SCHEMBL30711155 1.00 SLC16A3 (0.48) SLC16A3ITGB3ITGA2BPPARASYK
SCHEMBL19410160 0.94 SLC16A3 (0.47) SLC16A3SYKKDM4EALDH1A1LMNA
SCHEMBL31189237 0.94 SLC16A3 (0.47) SLC16A3SYKKDM4EALDH1A1LMNA
SCHEMBL19410158 0.94 SLC16A3 (0.47) SLC16A3SYKKDM4EALDH1A1LMNA
SCHEMBL19410141 0.85 MDM4 (0.47) —
SCHEMBL22061317 0.82 SLC16A3 (0.44) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL2998824 0.81 ITGA4 (0.51) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL2998819 0.81 ITGA4 (0.51) ITGB3ITGA2BALDH1A1CTSKCTSL
SCHEMBL30343682 0.81 ITGB3 (0.45) ITGB3ITGA2BPPARASYKACE

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 17 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
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — US disclosed
EP-3642220-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 Bristol-Myers Squibb Company (US) 2020-04-29 — — EP 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-2018237153-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-27 — — 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
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 (4 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 SLC16A3 3875/4885ITGB3 3764/4885ITGA2B 3218/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 SLC16A3 3875/4885ITGB3 3764/4885ITGA2B 3218/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3333/4885ITGB3 3399/4885ITGA2B 3276/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3386/4885ITGB3 3481/4885ITGA2B 3223/4885

“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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