SCHEMBL5841256

SCHEMBL5841256

O=C(NOC1CCCCO1)C1(S(=O)(=O)N2CCC(c3ccc(OC(F)(F)C(F)F)cc3)CC2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.37
MMP2 P08253 10/20 0.37
MMP9 P14780 8/20 0.37
MMP3 P08254 6/20 0.36
MMP8 P22894 5/20 0.36
MMP14 P50281 5/20 0.36
MMP1 P03956 5/20 0.36
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.32
MMP7 P09237 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 4/20 0.32
ADAM10 O14672 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
SCHEMBL5717412 0.90 MMP2 (0.39) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5717231 0.86 MMP13 (0.49) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6097518 0.84 MMP13 (0.43) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5840614 0.84 MMP9 (0.39) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5908513 0.82 MMP8 (0.50) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6094620 0.80 MMP13 (0.43) MMP13MMP2MMP9MMP3MMP8
SCHEMBL8291931 0.79 MMP13 (0.40) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6230179 0.78 MMP8 (0.39) MMP13MMP2MMP9MMP3MMP8
SCHEMBL8291093 0.78 HPGD (0.33)
SCHEMBL8291695 0.77 MMP2 (0.41) MMP13MMP2MMP9MMP3MMP8

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 6 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-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 MMP13 6/4885MMP2 4/4885MMP9 5/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MMP13 6/4885MMP2 4/4885MMP9 5/4885

“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.