SCHEMBL3613337

SCHEMBL3613337

CCOC(=O)c1oc2ccc(CC)c(OCc3ccccc3)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
EDNRA P25101 1/20 0.51
KDM4E B2RXH2 4/20 0.51
NMT2 O60551 4/20 0.51
NMT1 P30419 4/20 0.51
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOB P27338 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
AHR P35869 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
SCHEMBL3619348 0.89 EDNRA (0.64) MMP2MMP13EDNRAKDM4ENMT2
SCHEMBL3622124 0.81 RAB9A (0.57) RAB9ANPC1MAPTMMP2MMP13
SCHEMBL3616111 0.78 RAB9A (0.53) RAB9ANPC1MAPTMMP2MMP13
SCHEMBL3608031 0.77 RAB9A (0.65) RAB9ANPC1MAPTKDM4ENMT2
SCHEMBL717067 0.77 KDM4E (0.62) MAPTKDM4EL3MBTL1ALDH1A1MAOB
SCHEMBL754576 0.75 KDM4E (0.56) RAB9AMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL3618562 0.74 RAB9A (0.74) RAB9ANPC1MAPTKDM4ENMT2
SCHEMBL10741846 0.74 RAB9A (0.60) RAB9ANPC1MAPTKDM4ENMT2
SCHEMBL9223032 0.73 GLO1 (0.57) RAB9ANPC1MAPTKDM4EHSD17B10
SCHEMBL4169298 0.73 KDM4E (0.47) MAPTKDM4ENMT2NMT1L3MBTL1

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.