SCHEMBL23225650

SCHEMBL23225650

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL27103043 1.00 MPO (0.41) MPOOPRM1MAPTSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL29773038 0.95 OPRM1 (0.37) MPOOPRM1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23225718 0.88 MPO (0.49) MPOOPRM1MAPTSMN1; SMN2ALDH1A1
SCHEMBL27141256 0.86 OPRM1 (0.37) MPOOPRM1
SCHEMBL27141261 0.86 OPRM1 (0.37) MPOOPRM1
SCHEMBL23217909 0.84 MPO (0.46) MPOOPRM1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL27102034 0.84 MPO (0.46) MPOOPRM1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL23225720 0.84 MPO (0.46) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL23217985 0.83 MPO (0.48) MPOOPRM1ALDH1A1CYP1A2CYP2C9
SCHEMBL23225618 0.83 MPO (0.45) MPOOPRM1ALDH1A1CYP1A2CYP2C9

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 4 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
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 MPO 1/4885OPRM1 1161/4885MAPT 969/4885

“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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