SCHEMBL3609306

SCHEMBL3609306

CCOC(=O)c1oc2cccc(OCC)c2c1C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
KDM4E B2RXH2 2/20 0.76
HSD17B10 Q99714 2/20 0.76
NMT2 O60551 10/20 0.70
NMT1 P30419 10/20 0.70
MAPT P10636 1/20 0.70
ADRB2 P07550 5/20 0.69
ADRB1 P08588 4/20 0.69
ADRB3 P13945 4/20 0.69
MEN1 O00255 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
ATM Q13315 1/20 0.65
EDNRA P25101 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3609719 0.91 NMT2 (0.73) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL6867241 0.89 NMT2 (0.71) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL10741778 0.89 NPC1 (0.73) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL3607399 0.89 KDM4E (0.76) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL10742500 0.87 NMT2 (0.74) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL10738297 0.87 NPC1 (0.66) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL6868614 0.87 NMT2 (0.71) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL6871391 0.87 NMT2 (0.71) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL3612478 0.87 EDNRA (0.73) NPC1RAB9AKDM4EHSD17B10NMT2
SCHEMBL10737617 0.86 KDM4E (1.00) NPC1RAB9AKDM4EHSD17B10NMT2

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
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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 (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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885KDM4E 1421/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885KDM4E 1421/4885

“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.