SCHEMBL27101979

SCHEMBL27101979

COCn1ccc2c1c(=O)[nH]c(=S)n2CCOC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ LMNA P02545 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
SCHEMBL23225719 0.90 MPO (0.56) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL23225599 0.88 MPO (0.54) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL23217965 0.87 MPO (0.58) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL27103736 0.87 MPO (0.53) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL27103731 0.87 MPO (0.50) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL28896616 0.86 MPO (0.57) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL23217981 0.86 MPO (0.52) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL23225611 0.86 MPO (0.52) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL27101983 0.85 MPO (0.51) MPOOPRM1RAB9AALDH1A1CYP1A2
SCHEMBL23225612 0.84 MPO (0.50) MPOOPRM1RAB9AALDH1A1CYP1A2

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 MPO 1/4885OPRM1 1161/4885RAB9A 2417/4885

“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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