SCHEMBL27101995

SCHEMBL27101995

CCCCCCCCCCCCCCCC(C(=O)OCn1ccc2c1c(=O)[nH]c(=S)n2CCOC(C)C)C(=O)OC1COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ MPO P05164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL27103741 0.88 MPO (0.41) OPRM1MPOALDH1A1
SCHEMBL27101982 0.84 MPO (0.41) OPRM1MPOALDH1A1
SCHEMBL23225738 0.83 OPRM1 (0.40) OPRM1MPO
SCHEMBL27101993 0.81 OPRM1 (0.40) OPRM1MPOALDH1A1CYP2C19
SCHEMBL27102701 0.80 OPRM1 (0.37) OPRM1MPO
SCHEMBL27103736 0.76 MPO (0.53) OPRM1MPOALDH1A1CYP2C19
SCHEMBL27101992 0.76 OPRM1 (0.40) OPRM1MPOALDH1A1CYP2C19
SCHEMBL23225718 0.75 MPO (0.49) OPRM1MPOALDH1A1CYP2C19
SCHEMBL27101983 0.74 MPO (0.51) OPRM1MPOALDH1A1CYP2C19
SCHEMBL23225618 0.74 MPO (0.45) OPRM1MPOALDH1A1CYP2C19

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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 — — 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 OPRM1 1161/4885MPO 1/4885ALDH1A1 570/4885

“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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