SCHEMBL6096042

SCHEMBL6096042

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.44
MMP2 P08253 17/20 0.44
MMP9 P14780 14/20 0.44
MMP3 P08254 7/20 0.43
MMP8 P22894 7/20 0.43
MMP14 P50281 6/20 0.43
MMP1 P03956 6/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MMP7 P09237 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
SCHEMBL6095578 0.87 CA12 (0.46) MMP13MMP2MMP9MMP3MMP8
SCHEMBL8291860 0.75 AKR1C3 (0.54) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6097132 0.74 ALDH1A1 (0.44) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6097160 0.74 MMP2 (0.72) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6097553 0.70 TSHR (0.52) MMP13MMP2MMP9MMP3MMP8
SCHEMBL7402111 0.70 GPR183 (0.36) MMP13MMP2
SCHEMBL6094943 0.70 MMP9 (0.61) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6096056 0.69 MMP2 (0.53) MMP13MMP2MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5717399 0.68 MMP2 (0.56) MMP13MMP2MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5717402 0.68 MMP2 (0.56) MMP13MMP2MMP9MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067670-B2 Sulfamato hydroxamic acid metalloprotease inhibitor WARNER LAMBERT COMPANY (US) 2006-06-27 US 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 MMP13 23/4885MMP2 8/4885MMP9 7/4885

“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.