SCHEMBL6097553

SCHEMBL6097553

O=C(NO)C1(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MMP13 P45452 13/20 0.52
MMP9 P14780 12/20 0.52
MMP2 P08253 5/20 0.52
MMP1 P03956 10/20 0.52
ADAM17 P78536 9/20 0.52
MMP3 P08254 2/20 0.50
MMP8 P22894 2/20 0.50
HDAC4 P56524 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP7 P09237 1/20 0.50
MMP14 P50281 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6095559 0.85 MMP13 (0.56) MMP13MMP9MMP2MMP1ADAM17
SCHEMBL6097160 0.83 MMP2 (0.72) MMP13MMP9MMP2MMP1MMP3
SCHEMBL6096056 0.82 MMP2 (0.53) MMP13MMP9MMP2MMP1MMP3
SCHEMBL5717480 0.78 MMP13 (0.46) MMP13MMP9MMP2MMP1ADAM17
SCHEMBL8292145 0.77 MMP13 (0.46) MMP13MMP9MMP2MMP1ADAM17
SCHEMBL6097295 0.73 MMP13 (0.54) MMP13MMP9MMP2MMP1ADAM17
SCHEMBL6586758 0.73 MMP2 (0.57) MMP13MMP9MMP2MMP1MMP3
Hydrochloric Acid SCHEMBL5717399 0.72 MMP2 (0.56) MMP13MMP9MMP2MMP3MMP8
SCHEMBL6096786 0.72 MMP13 (0.55) MMP13MMP9MMP2MMP1ADAM17
SCHEMBL5717241 0.72 MMP13 (0.60) MMP13MMP9MMP2MMP1ADAM17

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 TSHR 4034/4885MMP13 23/4885MMP9 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.