Ether

Ether

SCHEMBL6337288

CCOCC.c1ccc(-c2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
ALOX15 P16050 1/20 0.76
TSHR P16473 1/20 0.76
CYP3A4 P08684 4/20 0.59
PORCN Q9H237 4/20 0.54
CYP2D6 P10635 3/20 0.54
ADH5 P11766 2/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP19A1 P11511 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
WNT3A P56704 1/20 0.48
MAPT P10636 2/20 0.47

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
SCHEMBL6660795 0.87 MEN1 (1.00) MEN1KMT2AALOX15TSHRCYP3A4
Water SCHEMBL6337291 0.85 MEN1 (0.96) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL2533488 0.80 TSHR (0.84) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL7010266 0.78 MEN1 (0.75) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL28518810 0.78 TSHR (0.80) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL13061038 0.77 MEN1 (0.62) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL28572495 0.76 MEN1 (0.77) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL451 0.76 CYP3A4 (1.00) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL8392834 0.76 MEN1 (0.61) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL19186987 0.75 KMT2A (0.70) MEN1KMT2AALOX15TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849732-B2 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
EP-1095936-B1 Intermediates useful for the preparation of metallproteinase inhibitors AGOURON PHARMA (US) 2004-11-24 EP disclosed
US-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2003-07-10 US disclosed
US-6500948-B1 SUCH AS N-HYDROXY-4-(4-((PYRID-4-YL)OXY)BENZENESULFONYL)-2,2-DIMETHYL-TETRAHYDRO-2H -1,4-THIAZINE-3-CARBOXYLIC ACID AGOURON PHARMACEUTICALS, INC. 2002-12-31 US disclosed
EP-1095936-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2001-05-02 EP disclosed
US-6153757-A A PRODRUG, SALT OR SOLVATE AS ANTITUMOR AGENT AND ENZYME INHIBITOR FOR INHIBITING METALLOPROTEINASES, TUMOR NECROSIS FACTOR AGOURON PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 EP disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 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-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation MMP9, MMP3, MMP2 MEN1 2595/4885KMT2A 2245/4885ALOX15 522/4885

“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.