SCHEMBL19410171

SCHEMBL19410171

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ AKR1B1 P15121 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ELANE P08246 3/20 0.33
▸ AAK1 Q2M2I8 3/20 0.33
▸ RECQL P46063 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSPO P30536 1/20 0.31

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
SCHEMBL28382342 0.89 AKR1B1 (0.34) ALDH1A1AKR1B1TP53ELANERECQL
SCHEMBL19410169 0.85 SLC16A3 (0.36) ALDH1A1AKR1B1ELANEAAK1CYP1A2
SCHEMBL19410132 0.80 RECQL (0.40) ALDH1A1AKR1B1TP53ELANERECQL
SCHEMBL19410194 0.73 PLK1 (0.42) ALDH1A1MAPK1L3MBTL1
SCHEMBL14743657 0.68 ALDH1A1 (0.42) ALDH1A1ELANEMAPK1L3MBTL1
SCHEMBL29121646 0.67 CFD (0.44) ALDH1A1AKR1B1ELANERECQLCYP1A2
SCHEMBL19236884 0.65 CFD (0.40) TP53ELANE
SCHEMBL19236947 0.64 SMN1; SMN2 (0.43) TP53ELANEAAK1
SCHEMBL29121913 0.63 DNM1 (0.39) AKR1B1ELANE
SCHEMBL19410131 0.62 SLC16A3 (0.43) ALDH1A1AKR1B1RECQLL3MBTL1

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 9 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
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 ALDH1A1 3723/4885AKR1B1 4672/4885TP53 61/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885AKR1B1 4672/4885TP53 61/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 ALDH1A1 4359/4885AKR1B1 4673/4885TP53 134/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 ALDH1A1 3710/4885AKR1B1 4597/4885TP53 95/4885

“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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