SCHEMBL6095879

SCHEMBL6095879

COC(=O)C1(S(=O)(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
EPHX2 P34913 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6097192 0.89 SMN1; SMN2 (0.40) CYP2C9CYP2C19MAPTSMN1; SMN2HTT
SCHEMBL6096459 0.89 MMP13 (0.45) MMP2MMP9MMP13
SCHEMBL6096169 0.83 MMP13 (0.49) PKMCYP2C9CYP2C19CYP3A4MAPT
SCHEMBL6099484 0.83 MMP13 (0.49) PKMCYP2C9CYP2C19CYP3A4MAPT
SCHEMBL6096146 0.81 HRH3 (0.37) SMN1; SMN2HTTRECQLHRH3KMT2A
SCHEMBL27576284 0.74 MAPT (0.47) MAPTSMN1; SMN2HTTRECQLEPHX2
SCHEMBL6095340 0.74 SMN1; SMN2 (0.54) MAPTSMN1; SMN2HTTRECQLHRH3
SCHEMBL6098850 0.72 MMP13 (0.48) MMP2MMP9MMP13
SCHEMBL6097841 0.72 MMP13 (0.49) HRH3KMT2AMEN1EPHX2MMP2
SCHEMBL6096414 0.72 MMP13 (0.49) PKMHRH3EPHX2MMP2MMP9

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 PKM 3447/4885CYP2C9 1931/4885CYP2C19 2010/4885

“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.