Sugi Predict

Sugi Predict / Compounds / SCHEMBL1383019

SCHEMBL1383019

SCHEMBL1383019

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccs2)C(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ PKM P14618 5/20 0.47
▸ POLB P06746 1/20 0.46
▸ MMP13 P45452 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GCKR Q14397 2/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5320715 0.88 GCKR (0.52) MMP1MMP9MMP3MMP7PKM
SCHEMBL1381814 0.84 POLB (0.53) PKMPOLBALDH1A1UBE2NHTT
SCHEMBL4038681 0.83 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4037002 0.83 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035557 0.83 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL12995467 0.81 POLB (0.53) PKMPOLBALDH1A1GCKRUBE2N
SCHEMBL16781 0.80 PKM (0.71) PKMPOLBALDH1A1
SCHEMBL4036361 0.79 MMP9 (0.60) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4038253 0.79 MMP9 (0.60) MMP1MMP9MMP3MMP7MMP13
SCHEMBL12659053 0.79 MMP1 (0.62) MMP1MMP9MMP3MMP7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 — — 2011-11-30 — — JP claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 — — EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 — — WO 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.