SCHEMBL23218012

SCHEMBL23218012

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ TPO P07202 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 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
SCHEMBL27103046 0.87 MPO (0.54) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL23225621 0.81 MPO (0.55) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL23225714 0.75 OPRM1 (0.48) MPOOPRM1
SCHEMBL29773063 0.74 OPRM1 (0.45) MPOOPRM1ALDH1A1PLK1GAA
Verdiperstat SCHEMBL1536607 0.72 MPO (1.00) MPOOPRM1TPO
Verdiperstat SCHEMBL23225670 0.69 MPO (0.58) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL1468843 0.68 NPC1 (0.41) MPOOPRM1NPC1
SCHEMBL29879357 0.65 MPO (0.70) MPOOPRM1TPO
SCHEMBL1469860 0.64 NPC1 (0.43) NPC1CYP2C9CYP2C19
SCHEMBL8477439 0.64 NPC1 (0.43) NPC1

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 4 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
EP-4041735-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS Biohaven Therapeutics Ltd. (US) 2022-08-17 — — EP 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 1161/4885NPC1 1828/4885

“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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