SCHEMBL6794520

SCHEMBL6794520

CC(C)[C@H](C(=O)O)N(CCN1CCCCC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.49
MMP13 P45452 2/20 0.49
MMP9 P14780 7/20 0.47
MMP1 P03956 3/20 0.47
MMP14 P50281 3/20 0.47
MMP8 P22894 2/20 0.46
ATM Q13315 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ADAMTS4 O75173 2/20 0.42
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MMP3 P08254 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP12 P39900 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
SCHEMBL6798645 0.90 MMP2 (0.61) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6794521 0.83 MMP2 (0.56) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6797432 0.82 MMP2 (0.56) MMP2MMP13MMP9MMP1MMP14
SCHEMBL8172369 0.81 MMP2 (0.56) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6796505 0.80 MMP2 (0.52) MMP2MMP13GAAMMP3ALDH1A1
Hexane SCHEMBL7111698 0.76 MMP2 (0.48) MMP2MMP13GAAMMP3ALDH1A1
SCHEMBL6795796 0.75 MMP13 (0.60) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6795792 0.75 MMP13 (0.60) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6806356 0.74 MMP2 (0.53) MMP2MMP13MMP9MMP1MMP14
SCHEMBL6796522 0.73 MMP2 (0.68) MMP2MMP13MMP9MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977745-B1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2004-12-01 EP disclosed
US-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds PHARMACIA CORPORATION 2004-02-19 US disclosed
US-6087359-A A MATRIX METALLOPROTEASE ENZYME INHIBITOR PHARMACIA CORPORATION 2000-07-11 US disclosed
EP-0977745-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-02-09 EP disclosed
WO-1998039313-A1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds MMP10, MMP1, MMP3 MMP2 4/4885MMP13 11/4885MMP9 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.