SCHEMBL19410169

SCHEMBL19410169

CC(C)(C)OC(=O)Cc1nn(CC(C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TPSAB1 Q15661 2/20 0.33
▸ TPSD1 Q9BZJ3 2/20 0.33
▸ TPSG1 Q9NRR2 2/20 0.33
▸ ELANE P08246 2/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PTGER1 P34995 1/20 0.32

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
SCHEMBL19410171 0.85 ALDH1A1 (0.36) AKR1B1ALDH1A1ELANEAAK1CYP1A2
SCHEMBL19410131 0.79 SLC16A3 (0.43) SLC16A3HTR2CSLC6A4AKR1B1ALDH1A1
SCHEMBL29774891 0.73 AKR1B1 (0.38) AKR1B1ALDH1A1ELANE
SCHEMBL19410193 0.73 L3MBTL1 (0.44) ALDH1A1TPSAB1TPSD1TPSG1
SCHEMBL28382342 0.73 AKR1B1 (0.34) AKR1B1ALDH1A1ELANECYP1A2
SCHEMBL29774853 0.71 AKR1B1 (0.37) AKR1B1ALDH1A1ELANE
SCHEMBL31189245 0.70 TPSAB1 (0.34) NPSR1TPSAB1TPSD1TPSG1SYK
SCHEMBL19410144 0.70 TPSAB1 (0.34) NPSR1TPSAB1TPSD1TPSG1SYK
SCHEMBL19410213 0.70 ALDH1A1 (0.43) ALDH1A1NPSR1TPSAB1TPSD1TPSG1
SCHEMBL17369164 0.70 SYK (0.46) ALDH1A1NPSR1TPSAB1TPSD1TPSG1

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 12 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-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
EP-3642220-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 Bristol-Myers Squibb Company (US) 2020-04-29 — — 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-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 3875/4885HTR2C 3952/4885SLC6A4 4705/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 SLC16A3 3875/4885HTR2C 3952/4885SLC6A4 4705/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3333/4885HTR2C 4175/4885SLC6A4 4667/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3386/4885HTR2C 4116/4885SLC6A4 4720/4885

“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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