SCHEMBL4035557

SCHEMBL4035557

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2)C(C(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.62
MMP9 P14780 4/20 0.62
MMP3 P08254 3/20 0.62
MMP7 P09237 3/20 0.62
MMP13 P45452 5/20 0.54
ALDH1A1 P00352 2/20 0.50
ADAM17 P78536 2/20 0.48
TGFBR1 P36897 1/20 0.45
HTR6 P50406 1/20 0.45
GPR119 Q8TDV5 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
SCHEMBL4038681 1.00 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4037002 1.00 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4036361 0.93 MMP9 (0.60) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4038253 0.93 MMP9 (0.60) MMP1MMP9MMP3MMP7MMP13
SCHEMBL12659053 0.91 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2441360 0.90 MMP1 (0.64) MMP1MMP9MMP3MMP7MMP13
SCHEMBL27727372 0.88 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2445821 0.88 MMP1 (0.59) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2439382 0.88 MMP1 (0.59) MMP1MMP9MMP3MMP7MMP13
SCHEMBL17800319 0.87 MMP1 (0.53) MMP1MMP9MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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 (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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R MMP1 3474/4885MMP9 4189/4885MMP3 2393/4885

“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.