SCHEMBL27141256

SCHEMBL27141256

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ MPO P05164 1/20 0.37
▸ BRD4 O60885 4/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ PLK1 P53350 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL27141261 1.00 OPRM1 (0.37) OPRM1MPOBRD4CA2TPSAB1
SCHEMBL23225676 0.86 MPO (0.42) OPRM1MPOTPSAB1TPSD1TPSG1
SCHEMBL27103043 0.86 MPO (0.41) OPRM1MPO
SCHEMBL23225650 0.86 MPO (0.41) OPRM1MPO
SCHEMBL27102078 0.84 MPO (0.45) OPRM1MPOLMNA
SCHEMBL27102019 0.84 MPO (0.43) OPRM1MPO
SCHEMBL23217931 0.84 OPRM1 (0.40) OPRM1MPOTPSAB1TPSD1TPSG1
SCHEMBL23225718 0.83 MPO (0.49) OPRM1MPOPLK1LMNA
SCHEMBL23217934 0.81 OPRM1 (0.38) OPRM1MPO
SCHEMBL23225711 0.81 OPRM1 (0.38) 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
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 OPRM1 1161/4885MPO 1/4885BRD4 3822/4885

“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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