SCHEMBL3608587

SCHEMBL3608587

CCOC(=O)c1oc2cccc(CCCO)c2c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
MAPT P10636 1/20 0.64
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
NMT2 O60551 9/20 0.55
NMT1 P30419 9/20 0.55
ADRB2 P07550 5/20 0.55
ADRB1 P08588 4/20 0.55
ADRB3 P13945 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
AHR P35869 1/20 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
SCHEMBL3608187 0.92 RAB9A (0.67) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3611000 0.88 NPC1 (0.61) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3608516 0.87 RAB9A (0.70) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3618562 0.86 RAB9A (0.74) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3615793 0.85 RAB9A (0.64) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3619524 0.84 EDNRA (0.54) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL31497988 0.83 RAB9A (0.68) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3619562 0.83 RAB9A (0.68) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3617874 0.82 RAB9A (0.67) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL3608518 0.79 RAB9A (0.76) RAB9ANPC1MAPTKDM4EHSD17B10

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 RAB9A 3864/4885NPC1 2605/4885MAPT 4416/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC RAB9A 3864/4885NPC1 2605/4885MAPT 4416/4885

“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.