SCHEMBL21029636

SCHEMBL21029636

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ITGAV P06756 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL25354045 0.94 MMP2 (0.46) MMP2MMP9MMP8CA1CA2
SCHEMBL12287583 0.94 MMP2 (0.46) MMP2MMP9MMP8CA1CA2
SCHEMBL25354041 0.94 MMP2 (0.46) MMP2MMP9MMP8CA1CA2
SCHEMBL25352949 0.93 MMP2 (0.50) MMP2MMP9MMP8CA1CA2
SCHEMBL25352953 0.93 MMP2 (0.50) MMP2MMP9MMP8CA1CA2
SCHEMBL20556383 0.91 CA1 (0.45) MMP2MMP9MMP8CA1CA2
SCHEMBL20556384 0.91 CA1 (0.45) MMP2MMP9MMP8CA1CA2
SCHEMBL30299067 0.85 CA1 (0.44) MMP2MMP9MMP8CA1CA2
SCHEMBL25352826 0.84 CA1 (0.44) MMP2MMP9MMP8CA1CA2
SCHEMBL30299062 0.84 CA1 (0.44) MMP2MMP9MMP8CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 MMP2 2898/4885MMP9 4332/4885MMP8 4262/4885

“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.