SCHEMBL6735606

SCHEMBL6735606

O=C(O)[C@H](NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H](SCCOc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 16/20 0.55
MMP13 P45452 12/20 0.55
MMP2 P08253 3/20 0.51
MMP1 P03956 2/20 0.51
MMP3 P08254 2/20 0.51
MMP7 P09237 2/20 0.51
MMP9 P14780 2/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
MMP14 P50281 1/20 0.47
EEF2K O00418 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45

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
SCHEMBL6733022 0.84 MMP13 (0.57) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6732520 0.83 MMP13 (0.53) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL7378498 0.83 MMP13 (0.53) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6732102 0.78 MMP2 (0.61) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL7420895 0.78 MMP2 (0.61) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6739976 0.77 MMP13 (0.57) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6739709 0.77 ADAMTS4 (0.56) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6738332 0.74 MMP13 (0.56) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6732449 0.74 MMP2 (0.56) ADAMTS4MMP13MMP2MMP1MMP3
SCHEMBL6742257 0.73 MMP13 (0.58) ADAMTS4MMP13MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142975-A1 Beta disubstituted metalloprotease inhibitors THE PROCTER &GAMBLE COMPANY 2004-07-22 US claimed
US-6696456-B1 CARBOCYCLIC ACIDS AND SALTS SUCH AS (2S,3R)-3-ETHYLSULFANYL-2-(4'-FLUORO-BIPHENYL-4-SULFONYLAMINO)-3- PHENYLPROPIONIC ACID, USED AS METALLOENZYME ANTAGONISTS FOR THE PROPHYLAXIS OF DEGENERATIVE JOINT DISEASE AND AS WOUND HEALING AGENTS THE PROCTER & GAMBLE COMPANY 2004-02-24 US claimed
EP-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP claimed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO claimed

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-20040142975-A1 Beta disubstituted metalloprotease inhibitors ADAM17, ADAM9, SI ADAMTS4 100/4885MMP13 57/4885MMP2 13/4885

“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.