SCHEMBL23217967

SCHEMBL23217967

CC(C)OCCn1c(=S)[nH]c(=O)c2c1ccn2C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ TDP1 Q9NUW8 9/20 0.37
▸ NPSR1 Q6W5P4 9/20 0.37
▸ MAPT P10636 7/20 0.37
▸ ACE P12821 1/20 0.36
▸ KMT2A Q03164 7/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 3/20 0.35
▸ ATM Q13315 2/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23217964 1.00 OPRM1 (0.39) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23225713 0.93 OPRM1 (0.39) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23225710 0.93 OPRM1 (0.39) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23217934 0.88 OPRM1 (0.38) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23217932 0.88 OPRM1 (0.38) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23225711 0.82 OPRM1 (0.38) OPRM1MPOTDP1NPSR1MAPT
SCHEMBL23217984 0.77 MPO (0.51) OPRM1MPONPSR1KMT2AMEN1
SCHEMBL23225676 0.76 MPO (0.42) OPRM1MPOMAPTGAAKDM4E
SCHEMBL27102078 0.75 MPO (0.45) OPRM1MPONPSR1MAPTKMT2A
SCHEMBL27141256 0.72 OPRM1 (0.37) OPRM1MPO

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 2 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
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 OPRM1 1161/4885MPO 1/4885TDP1 134/4885

“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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