SCHEMBL23217932

SCHEMBL23217932

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ NPSR1 Q6W5P4 8/20 0.36
▸ TDP1 Q9NUW8 7/20 0.36
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ POLB P06746 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ ACE P12821 1/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PAX8 Q06710 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
SCHEMBL23217934 1.00 OPRM1 (0.38) OPRM1MPONPSR1TDP1MAPT
SCHEMBL23225711 0.94 OPRM1 (0.38) OPRM1MPONPSR1TDP1MAPT
SCHEMBL23217964 0.88 OPRM1 (0.39) OPRM1MPONPSR1TDP1MAPT
SCHEMBL23217967 0.88 OPRM1 (0.39) OPRM1MPONPSR1TDP1MAPT
SCHEMBL23225676 0.84 MPO (0.42) OPRM1MPOMAPTKDM4EALDH1A1
SCHEMBL27102078 0.84 MPO (0.45) OPRM1MPONPSR1MAPTMEN1
SCHEMBL23225713 0.83 OPRM1 (0.39) OPRM1MPONPSR1TDP1MAPT
SCHEMBL23225710 0.83 OPRM1 (0.39) OPRM1MPONPSR1TDP1MAPT
SCHEMBL27102019 0.82 MPO (0.43) OPRM1MPONPSR1MEN1KMT2A
SCHEMBL27141256 0.81 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 1/4885NPSR1 1791/4885

“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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