SCHEMBL23225621

SCHEMBL23225621

CC(C)OCCn1c(=S)n(COP(=O)(O)O)c(=O)c2[nH]ccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ HPRT1 P00492 1/20 0.33
▸ TPO P07202 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ PLK1 P53350 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
SCHEMBL23218012 0.81 MPO (0.55) MPOOPRM1TPOALDH1A1CYP1A2
SCHEMBL27103046 0.80 MPO (0.54) MPOOPRM1TPOALDH1A1CYP1A2
SCHEMBL23225714 0.77 OPRM1 (0.48) MPOOPRM1
SCHEMBL29773063 0.74 OPRM1 (0.45) MPOOPRM1ALDH1A1PLK1
Verdiperstat SCHEMBL1536607 0.72 MPO (1.00) MPOOPRM1TPO
SCHEMBL23225611 0.68 MPO (0.52) MPOOPRM1HPRT1ALDH1A1CYP1A2
Verdiperstat SCHEMBL23225670 0.66 MPO (0.58) MPOOPRM1TPOALDH1A1CYP1A2
SCHEMBL29879357 0.65 MPO (0.70) MPOOPRM1TPO
SCHEMBL23225606 0.65 OPRM1 (0.36) MPOOPRM1
SCHEMBL29879737 0.63 OPRM1 (0.32) MPOOPRM1

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 3 patents. 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
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 — — US disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 — — WO 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 1161/4885HPRT1 468/4885

“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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