SCHEMBL25146559

SCHEMBL25146559

Cc1cc(/C=C/C(=O)O)ccc1-c1ccc(C[C@@H]2NC(=O)[C@]3(Cc4ccccc4)CCCN(C3)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc3ccccc3CNC2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PPIE Q9UNP9 1/20 0.82

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
SCHEMBL25146438 0.95 PPIE (0.89) PPIE
SCHEMBL25146784 0.95 PPIE (0.89) PPIE
SCHEMBL23512450 0.92 PPIE (0.90) PPIE
SCHEMBL23512749 0.92 PPIE (0.86) PPIE
SCHEMBL25146555 0.92 PPIE (0.85) PPIE
SCHEMBL23512574 0.92 PPIE (0.85) PPIE
SCHEMBL23512636 0.92 PPIE (0.85) PPIE
SCHEMBL23512516 0.92 PPIE (0.86) PPIE
SCHEMBL25146573 0.92 PPIE (0.88) PPIE
SCHEMBL23512507 0.91 PPIE (0.83) PPIE

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 — — 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 PPIE 7/4885

“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.

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