Sugi Predict

Sugi Predict / Compounds / SCHEMBL30749267

SCHEMBL30749267

SCHEMBL30749267

CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)ccc1CN(C(=S)NC(=O)c1ccccc1)c1nc[nH]c1C(N)=O.CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.38
▸ TPO P07202 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL30749253 0.92 MPO (0.40) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL30749335 0.90 MEN1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL27223595 0.84 MPO (0.51) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL30749376 0.84 MPO (0.51) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL27224080 0.82 USP2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL30749309 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27223569 0.76 MPO (0.53) MPOTPOCYP3A4KCNH2
SCHEMBL30749302 0.75 ALOX15 (0.34) ALDH1A1HPGD
SCHEMBL27223632 0.75 ALOX15 (0.34) ALDH1A1HPGD
SCHEMBL30749208 0.75 MPO (0.51) MPOTPOCYP3A4KCNH2

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
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
Send feedback