Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377820

SCHEMBL3377820

SCHEMBL3377820

COc1cc(F)c2nccc([C@@H](O)[C@H](O)C3CCC(NC/C=C/c4cc(F)ccc4F)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ IDO1 P14902 3/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32

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
SCHEMBL3377824 1.00 SLC2A1 (0.36) SLC2A1KCNH2IDO1NR1I2NFE2L2
SCHEMBL3377688 1.00 SLC2A1 (0.36) SLC2A1KCNH2IDO1NR1I2NFE2L2
SCHEMBL3377827 1.00 SLC2A1 (0.36) SLC2A1KCNH2IDO1NR1I2NFE2L2
SCHEMBL3378207 0.94 SLC2A1 (0.34) SLC2A1KCNH2
SCHEMBL3374581 0.86 PTGS2 (0.38) SLC2A1KCNH2IDO1NFE2L2CDK9
SCHEMBL3376061 0.86 PTGS2 (0.38) SLC2A1KCNH2IDO1NFE2L2CDK9
SCHEMBL3376060 0.86 PTGS2 (0.38) SLC2A1KCNH2IDO1NFE2L2CDK9
SCHEMBL3376066 0.86 PTGS2 (0.38) SLC2A1KCNH2IDO1NFE2L2CDK9
SCHEMBL3378412 0.83 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL3378415 0.83 KCNH2 (0.51) SLC2A1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 — — US claimed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 — — US claimed
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 — — EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 — — US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 — — 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 SLC2A1 3035/4885KCNH2 1821/4885IDO1 744/4885

“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.