SCHEMBL23217928

SCHEMBL23217928

COc1ccc(CSc2nc(=O)c3[nH]ccc3n2CCOC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.47
▸ MPO P05164 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ DAO P14920 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL23225647 0.76 OPRM1 (0.46) OPRM1MPOLMNAALDH1A1RXFP1
SCHEMBL23225723 0.76 OPRM1 (0.45) OPRM1MPOLMNATSHR
SCHEMBL23225646 0.75 OPRM1 (0.45) OPRM1MPOLMNAMAPTALDH1A1
Verdiperstat SCHEMBL23225670 0.74 MPO (0.58) OPRM1MPOMAPTKDM4EALDH1A1
SCHEMBL23225605 0.74 OPRM1 (0.44) OPRM1MPOLMNATSHR
SCHEMBL23217973 0.73 OPRM1 (0.43) OPRM1MPOLMNARXFP1TSHR
SCHEMBL23218008 0.72 OPRM1 (0.46) OPRM1MPOLMNAHSP90AA1TSHR
SCHEMBL23217941 0.72 OPRM1 (0.40) OPRM1MPOLMNAALDH1A1TSHR
SCHEMBL20759378 0.68 DAO (0.51) PTGDR2DAOLMNAMMP13ALDH1A1
SCHEMBL27148100 0.65 OPRM1 (0.51) OPRM1MPOLMNAMAPTALDH1A1

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 6 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
CN-114945573-A Prodrugs of myeloperoxidase inhibitors 拜奥海芬治疗学有限公司 2022-08-26 — — CN disclosed
EP-4041735-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS Biohaven Therapeutics Ltd. (US) 2022-08-17 — — EP disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 — — WO 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 1/4885PTGDR2 2848/4885

“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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