SCHEMBL562616

SCHEMBL562616

Cc1nc(OC[C@H](O)CO)nc(C)c1-c1cccc(CNc2ccc3c(c2)CC2(CC2)C3CC(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.36
PDCD1 Q15116 14/20 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
SCHEMBL562617 1.00 CD274 (0.36) CD274PDCD1
SCHEMBL10264090 0.93 PDCD1 (0.36) CD274PDCD1
SCHEMBL563365 0.90 CD274 (0.39) CD274PDCD1
SCHEMBL561660 0.89 CD274 (0.37) CD274PDCD1
SCHEMBL13084438 0.89 CD274 (0.37) CD274PDCD1
SCHEMBL561659 0.89 CD274 (0.37) CD274PDCD1
SCHEMBL10203939 0.87 CD274 (0.40) CD274
SCHEMBL10203940 0.87 CD274 (0.40) CD274
SCHEMBL13084444 0.85 PDCD1 (0.34) CD274PDCD1
SCHEMBL561994 0.82 CD274 (0.34) CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 CD274 3683/4885PDCD1 4394/4885

“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.