SCHEMBL27103572

SCHEMBL27103572

CC(C)OCCn1c(=S)n(COC(=O)CNC(=O)OC(C)(C)C)c(=O)c2c1ccn2COC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 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
SCHEMBL27102076 0.97 KDM4E (0.31) KDM4E
SCHEMBL27102078 0.85 MPO (0.45) OPRM1MPOEPHX2KDM4ELMNA
SCHEMBL23217963 0.84 POLB (0.38) OPRM1MPO
SCHEMBL23225604 0.84 MPO (0.35) OPRM1MPOKDM4EALDH1A1HPGD
SCHEMBL23225676 0.79 MPO (0.42) OPRM1MPOEPHX2KDM4ELMNA
SCHEMBL23225712 0.79 POLB (0.33) LMNATSHR
SCHEMBL23218019 0.79 OPRM1 (0.32) OPRM1MPO
SCHEMBL23217931 0.78 OPRM1 (0.40) OPRM1MPOEPHX2KDM4ELMNA
SCHEMBL23225706 0.78 POLB (0.34) OPRM1MPO
SCHEMBL27102074 0.77 LMNA (0.33) LMNA

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 1 patent. 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

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 1/4885EPHX2 536/4885

“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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