Sugi Predict

Sugi Predict / Compounds / Ether

Ether

Ether

SCHEMBL4222947

CCOCC.O=[N+]([O-])c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.56
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KCNJ1 P48048 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL2961612 0.85 HSPB1 (0.67) HSPB1POLBRAB9ANPC1KCNJ1
Ether SCHEMBL4868795 0.84 POLB (0.57) POLBMEN1KMT2ACA1CA2
Water SCHEMBL4218173 0.83 HSPB1 (0.64) HSPB1POLBRAB9ANPC1KCNJ1
Methoxymethane SCHEMBL28827114 0.79 HSPB1 (0.70) HSPB1POLBKCNJ1KCNH2MEN1
Ethane SCHEMBL28251595 0.79 HSPB1 (0.69) HSPB1POLBKCNJ1KCNH2MEN1
SCHEMBL7026994 0.79 HSPB1 (0.75) HSPB1POLBKCNJ1KCNH2MEN1
SCHEMBL536 0.79 HSPB1 (0.75) HSPB1POLBKCNJ1KCNH2MEN1
Methyl Alcohol SCHEMBL28785209 0.77 HSPB1 (0.67) HSPB1POLBRAB9ANPC1KCNJ1
Fluoride SCHEMBL4551986 0.77 HSPB1 (0.72) HSPB1POLBRAB9ANPC1KCNJ1
Fluoride SCHEMBL4551988 0.77 HSPB1 (0.72) HSPB1POLBRAB9ANPC1KCNJ1

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 — — US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 — — US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 — — EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 — — 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 HSPB1 821/4885POLB 2141/4885RAB9A 2046/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS HSPB1 1165/4885POLB 2885/4885RAB9A 1590/4885

“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.