SCHEMBL3607399

SCHEMBL3607399

CCOC(=O)c1oc2cccc(OC)c2c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
HSD17B10 Q99714 4/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
MAPT P10636 1/20 0.70
EDNRA P25101 1/20 0.69
NMT2 O60551 9/20 0.63
NMT1 P30419 9/20 0.63
ADRB2 P07550 5/20 0.62
ADRB1 P08588 4/20 0.62
ADRB3 P13945 4/20 0.62
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3609306 0.89 NPC1 (0.76) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL10737617 0.86 KDM4E (1.00) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3609719 0.85 NMT2 (0.73) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3609101 0.84 NPC1 (0.69) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL10741778 0.84 NPC1 (0.73) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL6867241 0.84 NMT2 (0.71) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3608518 0.84 RAB9A (0.76) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3617865 0.83 KDM4E (0.67) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3610633 0.82 NPC1 (1.00) KDM4EHSD17B10NPC1RAB9AMAPT
SCHEMBL3618562 0.82 RAB9A (0.74) KDM4EHSD17B10NPC1RAB9AMAPT

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 10 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
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed
US-4663347-A ANTIINFLAMMATORY, ANTIALLERGENS, CARDIOVASCULAR MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed
EP-0146243-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1985-06-26 EP 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 KDM4E 1421/4885HSD17B10 444/4885NPC1 2605/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC KDM4E 1421/4885HSD17B10 444/4885NPC1 2605/4885

“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.