SCHEMBL3605836

SCHEMBL3605836

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 6/20 0.66
LMNA P02545 2/20 0.66
CLK1 P49759 1/20 0.66
MMP2 P08253 8/20 0.61
MMP13 P45452 3/20 0.61
MMP14 P50281 3/20 0.61
ADAMTS4 O75173 1/20 0.61
MMP7 P09237 1/20 0.61
MMP12 P39900 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

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 0.91 RAB9A (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3606898 0.91 RAB9A (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3606744 0.91 RAB9A (0.68) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3613623 0.85 RAB9A (0.70) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3614367 0.81 MMP2 (0.82) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL3610779 0.81 MMP2 (0.82) MMP2MMP13MMP14ADAMTS4MMP7
SCHEMBL3611796 0.78 RAB9A (0.72) RAB9ANPC1LMNACLK1MMP2
SCHEMBL27593743 0.77 NPC1 (0.72) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3617526 0.77 MMP2 (0.71) RAB9ANPC1LMNACLK1MMP2
SCHEMBL3092924 0.76 MAPT (0.46) RAB9ANPC1LMNAMMP2ADAMTS4

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 2605/4885LMNA 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.