SCHEMBL6096396

SCHEMBL6096396

O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
MMP13 P45452 16/20 0.53
MMP2 P08253 8/20 0.53
MMP9 P14780 12/20 0.52
MMP1 P03956 9/20 0.52
ADAM17 P78536 9/20 0.52
MMP14 P50281 4/20 0.51
MMP3 P08254 3/20 0.51
MMP8 P22894 3/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP7 P09237 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
SLC6A5 Q9Y345 1/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
Hydrochloric Acid SCHEMBL6097341 0.99 ADRB2 (0.53) ADRB2MMP13MMP2MMP9MMP1
SCHEMBL6095774 0.91 MMP1 (0.54) MMP13MMP2MMP9MMP1ADAM17
SCHEMBL6096620 0.91 ADRB2 (0.52) ADRB2MMP13MMP2SLC6A5SIGMAR1
Hydrochloric Acid SCHEMBL6466769 0.91 MMP1 (0.53) MMP13MMP2MMP9MMP1ADAM17
SCHEMBL6097858 0.90 ADRB2 (0.49) ADRB2MMP13MMP2MMP9MMP1
SCHEMBL6097201 0.87 MMP13 (0.55) MMP13MMP2MMP9MMP1MMP14
SCHEMBL6097476 0.87 MMP13 (0.48) ADRB2MMP13MMP2MMP9MMP1
SCHEMBL6097943 0.86 MMP13 (0.53) ADRB2MMP13MMP2MMP9MMP1
SCHEMBL6098660 0.85 ADRB2 (0.48) ADRB2MMP13MMP2MMP9MMP1
SCHEMBL6095377 0.84 MMP9 (0.54) MMP13MMP2MMP9MMP1ADAM17

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 ADRB2 4884/4885MMP13 23/4885MMP2 8/4885

“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.