SCHEMBL5840874

SCHEMBL5840874

CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCC(CCCC=O)CC2)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 14/20 0.34
ADAMTS5 Q9UNA0 13/20 0.34
MMP2 P08253 10/20 0.34
MMP13 P45452 9/20 0.34
MMP9 P14780 5/20 0.34
MMP14 P50281 4/20 0.34
GPR119 Q8TDV5 5/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5717192 0.94 ADAMTS4 (0.35) ADAMTS4ADAMTS5MMP2MMP13MMP9
SCHEMBL5717186 0.88 ADAMTS4 (0.33) ADAMTS4ADAMTS5MMP2MMP13MMP9
SCHEMBL5717194 0.88 CYP4F2 (0.38) ADAMTS4ADAMTS5MMP2MMP13MMP9
SCHEMBL5717234 0.87 CYP4F2 (0.39) ADAMTS4ADAMTS5MMP2MMP13MMP9
SCHEMBL5717222 0.87 PKM (0.43) MMP13MMP9GPR119ALDH1A1
SCHEMBL5717417 0.86 GPR119 (0.30) GPR119
SCHEMBL5717338 0.86 CYP4F2 (0.41) ADAMTS4ADAMTS5MMP2GPR119ALDH1A1
SCHEMBL5717138 0.86 MEN1 (0.44) MMP13MMP9GPR119ALDH1A1
SCHEMBL5717379 0.86 CYP4F2 (0.34) ADAMTS4ADAMTS5MMP2MMP13MMP9
SCHEMBL5841392 0.85 ITGB3 (0.34) ADAMTS4ADAMTS5MMP2MMP13MMP9

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-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-20050245647-A1 Flame-retardant polyester fiber and artificial hair comprising the same KANEKA CORPORATION (JP) 2005-11-03 US disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 ADAMTS4 36/4885ADAMTS5 23/4885MMP2 4/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 ADAMTS4 36/4885ADAMTS5 23/4885MMP2 4/4885

“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.