SCHEMBL3914404

SCHEMBL3914404

CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(CC(=O)NCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 12/20 0.74
MMP13 P45452 5/20 0.73
MMP2 P08253 5/20 0.67
MMP9 P14780 4/20 0.67
MMP3 P08254 3/20 0.67
MMP1 P03956 2/20 0.67
MMP7 P09237 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
MMP8 P22894 1/20 0.59
MMP12 P39900 1/20 0.59
MMP14 P50281 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL1655625 1.00 ADAMTS4 (0.74) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL1655873 0.87 ADAMTS4 (0.57) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL1658630 0.85 ADAMTS4 (0.69) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL12730402 0.85 ADAMTS4 (0.69) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL8283257 0.85 MMP13 (1.00) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL1655830 0.85 MMP13 (1.00) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL4653257 0.82 MMP2 (1.00) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL1750956 0.82 MMP2 (1.00) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL32691806 0.82 MMP2 (1.00) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL7408103 0.80 ADAMTS4 (1.00) ADAMTS4MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP claimed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO claimed
US-7923446-B2 3-Methyl-2-[4'-(pyridin-3-ylmethoxymethyl)-biphenyl-4-sulfonylamino]-butyric acid; metalloproteinase inhibitors; arthritis, macular degeneration, graft versus host disease, cancer, osteoarthritis WYETH LLC (US) 2011-04-12 US disclosed
US-7923446-B2 3-Methyl-2-[4'-(pyridin-3-ylmethoxymethyl)-biphenyl-4-sulfonylamino]-butyric acid; metalloproteinase inhibitors; arthritis, macular degeneration, graft versus host disease, cancer, osteoarthritis WYETH LLC (US) 2011-04-12 US disclosed
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH (US) 2008-12-18 US disclosed
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH (US) 2008-12-18 US disclosed
US-7390833-B2 Method for treating ADAMTS-5-associated disease WYETH (US) 2008-06-24 US disclosed
US-7390833-B2 Method for treating ADAMTS-5-associated disease WYETH (US) 2008-06-24 US disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2007-09-27 US disclosed
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2007-09-27 US disclosed
US-7268135-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2007-09-11 US disclosed
US-7268135-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2007-09-11 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-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE ADAMTS5, ADAMTS1, ADAMTS4 ADAMTS4 3/4885MMP13 34/4885MMP2 119/4885
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC ADAMTS4 113/4885MMP13 13/4885MMP2 5/4885

“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.