SCHEMBL19410131

SCHEMBL19410131

CC(C)(C)OC(=O)Cc1nn(CC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ AKR1B1 P15121 3/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ S1PR2 O95136 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
SCHEMBL28384327 0.85 SLC16A3 (0.39) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410197 0.83 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410132 0.81 RECQL (0.40) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410169 0.79 SLC16A3 (0.36) SLC16A3ALDH1A1AKR1B1HTR2CSLC6A4
SCHEMBL19410199 0.78 PLK1 (0.46) ALDH1A1RECQLHDAC10HDAC6MAPT
SCHEMBL30711153 0.78 SLC16A3 (0.49) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410138 0.72 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410139 0.72 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL30711162 0.72 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL19410182 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNASMN1; 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 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 3875/4885ALDH1A1 3723/4885KDM4E 2736/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 SLC16A3 3875/4885ALDH1A1 3723/4885KDM4E 2736/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3333/4885ALDH1A1 4359/4885KDM4E 3194/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3386/4885ALDH1A1 3710/4885KDM4E 2895/4885

“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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