SCHEMBL3606744

SCHEMBL3606744

CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
LMNA P02545 2/20 0.68
CLK1 P49759 1/20 0.68
MMP2 P08253 10/20 0.68
MMP13 P45452 4/20 0.68
ADAMTS4 O75173 2/20 0.68
MMP14 P50281 2/20 0.68
MMP7 P09237 1/20 0.68
MMP12 P39900 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
PKM P14618 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
SCHEMBL3606898 1.00 RAB9A (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3606742 1.00 RAB9A (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3605836 0.91 RAB9A (0.66) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3613623 0.90 RAB9A (0.70) RAB9ANPC1LMNACLK1MMP2
SCHEMBL14042755 0.83 MMP2 (0.62) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3608932 0.82 ADAMTS4 (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3611796 0.82 RAB9A (0.72) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3618624 0.81 MMP2 (1.00) MMP2MMP13ADAMTS4MMP14MMP7
SCHEMBL2382350 0.81 MMP2 (1.00) MMP2MMP13ADAMTS4MMP14MMP7
SCHEMBL3616920 0.81 MMP2 (1.00) MMP2MMP13ADAMTS4MMP14MMP7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP claimed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US claimed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US claimed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
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
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 2605/4885LMNA 2547/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC RAB9A 3864/4885NPC1 2605/4885LMNA 2547/4885

“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.