SCHEMBL21058989

SCHEMBL21058989

CC(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP13 P45452 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP8 P22894 1/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 1/20 0.54
THRB P10828 1/20 0.52
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADAMTS4 O75173 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL30875596 1.00 MMP1 (0.56) MMP1MMP2MMP9MMP13CA1
SCHEMBL5625012 1.00 MMP1 (0.56) MMP1MMP2MMP9MMP13CA1
SCHEMBL21058664 0.92 MMP1 (0.50) MMP1MMP2MMP9MMP13CA1
SCHEMBL21058670 0.92 MMP1 (0.50) MMP1MMP2MMP9MMP13CA1
SCHEMBL32668283 0.88 CA1 (0.53) MMP1MMP2MMP9MMP13CA1
SCHEMBL5847457 0.87 CA1 (0.58) MMP1MMP2MMP9MMP13CA1
SCHEMBL5846555 0.87 CA1 (0.58) MMP1MMP2MMP9MMP13CA1
SCHEMBL21837493 0.86 CA1 (0.60) MMP1MMP2MMP9MMP13CA1
SCHEMBL21837494 0.86 CA1 (0.60) MMP1MMP2MMP9MMP13CA1
SCHEMBL21029163 0.84 CA1 (0.55) MMP1MMP2MMP9MMP13CA1

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
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 US disclosed
CN-111788191-B 1- (Piperidinylcarbonylmethyl) -2-oxopiperazine derivatives for the treatment of cancer 英夕亚生物科技股份公司 2024-06-04 CN disclosed
EP-3724178-B1 1-(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2024-05-01 EP disclosed
US-20220213057-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2022-07-07 US disclosed
US-11306068-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2022-04-19 US disclosed
CN-111788191-A 1- (piperidinylcarbonylmethyl) -2-oxopiperazine derivatives for the treatment of cancer 英夕亚生物科技股份公司 2020-10-16 CN disclosed
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2020-10-01 US disclosed
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 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 (7 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-20220213057-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-11306068-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 MMP1 828/4885MMP2 1411/4885MMP9 3168/4885

“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.