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SCHEMBL5718282

SCHEMBL5718282

CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCN(c3ccc(OC(F)(F)C(F)F)cc3)CC2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 0.42
▸ MMP13 P45452 13/20 0.42
▸ MMP9 P14780 11/20 0.42
▸ MMP3 P08254 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ MMP14 P50281 4/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL5717532 0.87 MMP2 (0.43) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5840308 0.87 MEN1 (0.36) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8291895 0.85 MMP2 (0.42) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5717448 0.85 MMP2 (0.55) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5847623 0.83 MMP13 (0.44) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5717428 0.83 MMP13 (0.40) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5717658 0.81 MMP13 (0.44) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5908626 0.79 MMP9 (0.50) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5717412 0.77 MMP2 (0.39) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6094943 0.75 MMP9 (0.61) MMP2MMP13MMP9MMP3MMP8

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
EP-1689743-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2006-08-16 — — EP 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
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 — — WO disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 — — US 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 MMP2 4/4885MMP13 6/4885MMP9 5/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MMP2 4/4885MMP13 6/4885MMP9 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.