SCHEMBL3617546

SCHEMBL3617546

Cc1c(C(=O)O)oc2cccc(CO[Si](C)(C)C(C)(C)C)c12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.51
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.40
NMT2 O60551 5/20 0.39
NMT1 P30419 5/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 4/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL3608740 0.87 RAB9A (0.58) NPC1RAB9AMAPTNMT2NMT1
SCHEMBL3607209 0.81 EDNRA (0.62) EDNRANPC1RAB9AMAPTKDM4E
SCHEMBL3607819 0.78 EDNRA (0.60) EDNRANPC1RAB9AMAPTKDM4E
SCHEMBL27593837 0.77 EDNRA (0.59) EDNRANPC1RAB9AMAPTKDM4E
SCHEMBL27593826 0.76 EDNRA (0.57) EDNRANPC1RAB9AMAPTKDM4E
SCHEMBL3598895 0.74 EDNRA (0.59) EDNRANPC1RAB9AMAPTNMT2
SCHEMBL27870689 0.73 EDNRA (0.55) EDNRANPC1RAB9AMAPTKDM4E
SCHEMBL6673753 0.73 BACE1 (0.49) NPC1RAB9ABACE1ALDH1A1
SCHEMBL31094071 0.73 BACE1 (0.49) NPC1RAB9ABACE1ALDH1A1
SCHEMBL3619524 0.72 EDNRA (0.54) EDNRANPC1RAB9AMAPTNMT2

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 EDNRA 3365/4885NPC1 2605/4885RAB9A 3864/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885NPC1 2605/4885RAB9A 3864/4885

“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.