SCHEMBL27103741

SCHEMBL27103741

CC(C)OCCn1c(=S)[nH]c(=O)c2c1ccn2COC(=O)C(C)C(=O)OC1COC(C)(C)OC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27101982 0.90 MPO (0.41) MPOOPRM1TSHRKDM4EMEN1
SCHEMBL23225738 0.89 OPRM1 (0.40) MPOOPRM1
SCHEMBL27101995 0.88 OPRM1 (0.37) MPOOPRM1ALDH1A1
SCHEMBL27102701 0.85 OPRM1 (0.37) MPOOPRM1
SCHEMBL27103731 0.82 MPO (0.50) MPOOPRM1TSHRKDM4EMEN1
SCHEMBL27103736 0.81 MPO (0.53) MPOOPRM1TSHRKDM4EMEN1
SCHEMBL27103746 0.80 MPO (0.46) MPOOPRM1MEN1ALDH1A1KMT2A
SCHEMBL23217981 0.79 MPO (0.52) MPOOPRM1TSHRKDM4EMEN1
SCHEMBL27101983 0.78 MPO (0.51) MPOOPRM1TSHRKDM4EMEN1
SCHEMBL23225612 0.77 MPO (0.50) MPOOPRM1TSHRKDM4EMEN1

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 MPO 1/4885OPRM1 1161/4885TSHR 2529/4885

“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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