SCHEMBL27102019

SCHEMBL27102019

CC(C)OCCn1c(=S)[nH]c(=O)c2c1ccn2COC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ ELANE P08246 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL23217969 0.90 MPO (0.46) MPOOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL23217970 0.90 MPO (0.46) MPOOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL27102078 0.86 MPO (0.45) MPOOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL27141256 0.84 OPRM1 (0.37) MPOOPRM1
SCHEMBL27141261 0.84 OPRM1 (0.37) MPOOPRM1
SCHEMBL23225676 0.83 MPO (0.42) MPOOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL23217934 0.82 OPRM1 (0.38) MPOOPRM1ALDH1A1MEN1KMT2A
SCHEMBL23217932 0.82 OPRM1 (0.38) MPOOPRM1ALDH1A1MEN1KMT2A
SCHEMBL23225711 0.82 OPRM1 (0.38) MPOOPRM1ALDH1A1MEN1KMT2A
SCHEMBL27102669 0.82 MPO (0.48) MPOOPRM1ALDH1A1CYP1A2CYP2C19

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
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

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 1161/4885ELANE 11/4885

“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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