SCHEMBL3604102

SCHEMBL3604102

CC(C)[C@@H](C(=O)O)N(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.57
MMP13 P45452 5/20 0.57
MMP14 P50281 4/20 0.55
ADAMTS4 O75173 1/20 0.55
MMP7 P09237 1/20 0.55
MMP12 P39900 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.52
CLK1 P49759 1/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3606742 0.81 RAB9A (0.68) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL3606744 0.81 RAB9A (0.68) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL3606898 0.81 RAB9A (0.68) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL3608932 0.79 ADAMTS4 (0.68) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL6450974 0.77 MMP2 (0.70) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL6450980 0.77 MMP2 (0.70) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL8288616 0.77 MMP2 (0.46) MMP2MMP13MMP14MMP12NPC1
SCHEMBL5803664 0.76 MMP13 (0.44) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL5803659 0.75 MMP13 (0.47) MMP2MMP13NPC1RAB9ATP53
SCHEMBL6798645 0.75 MMP2 (0.61) MMP2MMP13MMP14ADAMTS4MMP12

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
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US claimed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP 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 MMP2 5/4885MMP13 13/4885MMP14 19/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP2 5/4885MMP13 13/4885MMP14 19/4885

“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.