SCHEMBL30638141

SCHEMBL30638141

COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.52
▸ ANPEP P15144 1/20 0.52
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ MCL1 Q07820 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL16174305 0.88 MMP2 (0.46) MMP2ANPEPCA1CA2CA9
SCHEMBL13106876 0.88 NR1H2 (0.48) MMP2ANPEPCA1CA2CA9
SCHEMBL9503295 0.88 NR1H2 (0.48) MMP2ANPEPCA1CA2CA9
SCHEMBL9503339 0.87 MMP1 (0.55) MMP2CA1CA2CA9NR1H2
SCHEMBL9006094 0.87 STS (0.49) MMP2CA1CA2CA9NR1H2
SCHEMBL9507059 0.87 NR1H2 (0.50) MMP2CA1CA2CA9NR1H2
SCHEMBL9506253 0.87 NR1H2 (0.50) MMP2CA1CA2CA9NR1H2
SCHEMBL9505085 0.85 NR1H2 (0.50) MMP2ANPEPCA1CA2CA9
SCHEMBL13128283 0.85 MEN1 (0.48) MMP2ANPEPCA1CA2NR1H2
SCHEMBL30476482 0.83 CA1 (0.42) MMP2ANPEPCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 — — EP disclosed
WO-2024258943-A1 METHODS OF USING CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-12-19 — — WO disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 — — 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 MMP2 1342/4885ANPEP 779/4885CA1 3826/4885

“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.

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