Sugi Predict

Sugi Predict / Compounds / SCHEMBL23948965

SCHEMBL23948965

SCHEMBL23948965

CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c(-c4cccc5c4CC[C@@H]5Oc4nc(OCc5cncc(S(C)(=O)=O)c5)c(CNC(C)(CCO)C(=O)O)cc4Cl)cccc32)nc1OCc1cncc(S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.94
▸ PDCD1 Q15116 16/20 0.94

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
SCHEMBL23949370 0.97 CD274 (1.00) CD274PDCD1
SCHEMBL24613464 0.97 CD274 (1.00) CD274PDCD1
SCHEMBL24613698 0.97 CD274 (1.00) CD274PDCD1
SCHEMBL23949199 0.95 CD274 (0.85) CD274PDCD1
SCHEMBL23949137 0.94 PDCD1 (0.92) CD274PDCD1
SCHEMBL23949138 0.94 PDCD1 (0.92) CD274PDCD1
SCHEMBL23949685 0.91 CD274 (0.78) CD274PDCD1
SCHEMBL23949689 0.89 CD274 (0.84) CD274PDCD1
SCHEMBL23949645 0.89 CD274 (0.84) CD274PDCD1
SCHEMBL23949540 0.88 CD274 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CD274 1/4885PDCD1 2/4885

“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.