SCHEMBL22966645

SCHEMBL22966645

COP(=O)(CCN1CCc2nc(C(=O)N3CCc4c(-c5cccc6c5CCN6C(=O)c5nc6c(s5)CN(CCP(=O)(OC)OC)CC6)cccc43)sc2C1)OC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 12/20 0.42
CD274 Q9NZQ7 12/20 0.42
HDAC3 O15379 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
GAA P10253 1/20 0.38
ROCK2 O75116 1/20 0.36

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
SCHEMBL22966632 0.91 PDCD1 (0.43) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL28483169 0.88 PDCD1 (0.41) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL22966696 0.85 PDCD1 (0.42) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL22966641 0.84 PDCD1 (0.44) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL21451787 0.84 PDCD1 (0.44) PDCD1CD274GAA
SCHEMBL22966498 0.84 PDCD1 (0.41) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL22966846 0.82 PDCD1 (0.43) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL21451792 0.82 PDCD1 (0.45) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL22966709 0.81 HDAC6 (0.42) PDCD1CD274HDAC3HDAC1HDAC6
SCHEMBL21452331 0.81 ROCK2 (0.46) PDCD1CD274ROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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 (1 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP PDCD1 409/4885CD274 148/4885HDAC3 1424/4885

“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.