SCHEMBL22966709

SCHEMBL22966709

O=C(c1nc2c(s1)CN(CCCB(O)O)CC2)N1CCc2c(-c3cccc4c3CCN4C(=O)c3nc4c(s3)CN(CCCB(O)O)CC4)cccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.42
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
PDCD1 Q15116 13/20 0.40
CD274 Q9NZQ7 13/20 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
SCHEMBL22966498 0.90 PDCD1 (0.41) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL22966696 0.87 PDCD1 (0.42) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL22966846 0.85 PDCD1 (0.43) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL21451792 0.84 PDCD1 (0.45) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL21451984 0.84 HDAC6 (0.44) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL21451803 0.83 PDCD1 (0.42) PDCD1CD274
SCHEMBL22966819 0.82 PDCD1 (0.42) PDCD1CD274
SCHEMBL21452332 0.82 PDCD1 (0.42) PDCD1CD274
SCHEMBL22966502 0.82 PDCD1 (0.53) HDAC6HDAC3HDAC1PDCD1CD274
SCHEMBL21452331 0.81 ROCK2 (0.46) PDCD1CD274

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 HDAC6 390/4885HDAC3 1424/4885HDAC1 875/4885

“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.