SCHEMBL5717253

SCHEMBL5717253

CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.52
MMP2 P08253 4/20 0.52
ADAMTS5 Q9UNA0 4/20 0.52
MMP13 P45452 3/20 0.52
MMP14 P50281 3/20 0.52
MMP9 P14780 2/20 0.52
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.38
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL5717442 0.88 ADAMTS4 (0.40) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717205 0.83 ADAMTS4 (0.33) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717379 0.83 CYP4F2 (0.34) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL6219195 0.83 ADAMTS4 (0.39) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717237 0.82 NR1H2 (0.36) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717194 0.81 CYP4F2 (0.38) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5841392 0.81 ITGB3 (0.34) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717234 0.81 CYP4F2 (0.39) ADAMTS4MMP2ADAMTS5MMP13MMP14
SCHEMBL5717222 0.81 PKM (0.43) MMP13MMP9POLBALDH1A1HTT
SCHEMBL5717192 0.81 ADAMTS4 (0.35) ADAMTS4MMP2ADAMTS5MMP13MMP14

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 8 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
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 36/4885MMP2 4/4885ADAMTS5 23/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 ADAMTS4 36/4885MMP2 4/4885ADAMTS5 23/4885

“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.