SCHEMBL23949324

SCHEMBL23949324

Cc1c(COc2nc(OCc3cc(C#N)cc(C#N)c3)c(CNCCCC(=O)O)cc2Cl)cccc1-c1cccc(COc2nc(OCc3cc(C#N)cc(C#N)c3)c(CNCCCC(=O)O)cc2Cl)c1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 18/20 0.49
CD274 Q9NZQ7 18/20 0.49
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL24613405 0.97 PDCD1 (0.47) PDCD1CD274HDAC6HDAC1
SCHEMBL23949320 0.94 PDCD1 (0.56) PDCD1CD274HDAC6HDAC1
SCHEMBL24613536 0.92 CD274 (0.57) PDCD1CD274
SCHEMBL20539714 0.92 PDCD1 (0.47) PDCD1CD274
SCHEMBL24613395 0.91 HDAC6 (0.48) PDCD1CD274HDAC6HDAC1
SCHEMBL24613368 0.90 CD274 (0.47) PDCD1CD274HDAC6HDAC1
SCHEMBL24613439 0.89 CD274 (0.56) PDCD1CD274
SCHEMBL24613796 0.88 PDCD1 (0.60) PDCD1CD274
SCHEMBL23948923 0.86 CD274 (0.53) PDCD1CD274
SCHEMBL20539540 0.86 CD274 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885HDAC6 985/4885

“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.