SCHEMBL6095578

SCHEMBL6095578

O=C(NO)C1(S(=O)(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP2 P08253 17/20 0.45
MMP13 P45452 17/20 0.45
MMP9 P14780 14/20 0.45
MMP14 P50281 5/20 0.44
MMP3 P08254 5/20 0.44
MMP8 P22894 5/20 0.44
MMP1 P03956 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MMP7 P09237 1/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL6096042 0.87 MMP13 (0.44) MMP2MMP13MMP9MMP14MMP3
SCHEMBL8291860 0.76 AKR1C3 (0.54) MMP2MMP13MMP9MMP14MMP3
SCHEMBL6097132 0.75 ALDH1A1 (0.44) MMP2MMP13MMP9MMP14MMP3
SCHEMBL6097160 0.75 MMP2 (0.72) MMP2MMP13MMP9MMP14MMP3
SCHEMBL6439864 0.74 CYP3A4 (0.45) MMP2MMP13MMP9MMP14
SCHEMBL4467180 0.72 OPRM1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6097553 0.71 TSHR (0.52) MMP2MMP13MMP9MMP14MMP3
SCHEMBL974153 0.71 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6096089 0.71 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6096056 0.70 MMP2 (0.53) MMP2MMP13MMP9MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005106495-A1 PROCOLLAGEN II BIOMARKERS AND METHODS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO claimed
US-7067670-B2 Sulfamato hydroxamic acid metalloprotease inhibitor WARNER LAMBERT COMPANY (US) 2006-06-27 US disclosed
WO-2005106495-A1 PROCOLLAGEN II BIOMARKERS AND METHODS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2005-03-03 US disclosed
US-6800646-B1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-10-05 US disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 WO 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 (1 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-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor MMP14, MMP12, MMP17 CA12 214/4885CA1 65/4885CA2 318/4885

“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.