Sugi Predict

Sugi Predict / Compounds / SCHEMBL5198225

SCHEMBL5198225

SCHEMBL5198225

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HPGD P15428 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
SCHEMBL5315052 0.92 PRKCA (0.39) JAK2JAK1TYK2JAK3PRKCA
SCHEMBL5198805 0.92 MAPK1 (0.41) PDE4DL3MBTL1TP53PKMMAPK1
SCHEMBL5222794 0.90 NR1H4 (0.36) JAK2JAK1TYK2JAK3PDE4D
SCHEMBL5198279 0.89 L3MBTL1 (0.44) L3MBTL1TP53MAPK1NPSR1MEN1
SCHEMBL5216604 0.89 PRKCA (0.36) PRKCAMMP12SCN9ATP53NR1I2
SCHEMBL5199033 0.89 L3MBTL1 (0.38) PRKCAMMP12L3MBTL1SCN9ATP53
SCHEMBL5198488 0.88 L3MBTL1 (0.39) PRKCAMMP12L3MBTL1SCN9ATP53
SCHEMBL5198661 0.87 L3MBTL1 (0.35) JAK2JAK1TYK2JAK3PDE4D
SCHEMBL5222994 0.87 L3MBTL1 (0.38) PRKCAMMP12L3MBTL1SCN9ATP53
SCHEMBL5197903 0.87 PRKCA (0.41) PRKCAMMP12SCN9ATP53NR1I2

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
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 — — EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 — — US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 — — WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 — — EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 — — US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 — — 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 JAK2 1427/4885JAK1 2941/4885TYK2 2402/4885

“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.