SCHEMBL9507059

SCHEMBL9507059

COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.50
▸ NR1H3 Q13133 2/20 0.50
▸ MMP2 P08253 3/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MMP9 P14780 2/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ WNT3 P56703 2/20 0.43
▸ SFRP1 Q8N474 2/20 0.43

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
SCHEMBL9506253 1.00 NR1H2 (0.50) NR1H2NR1H3MMP2CA12CA1
SCHEMBL12267639 0.91 NR1H2 (0.50) NR1H2NR1H3MMP2CA12CA1
SCHEMBL13106876 0.90 NR1H2 (0.48) NR1H2NR1H3MMP2CA12CA1
SCHEMBL9503295 0.90 NR1H2 (0.48) NR1H2NR1H3MMP2CA12CA1
SCHEMBL9503339 0.89 MMP1 (0.55) NR1H2NR1H3MMP2CA12CA1
SCHEMBL9006094 0.89 STS (0.49) NR1H2NR1H3MMP2CA12CA1
SCHEMBL9505085 0.88 NR1H2 (0.50) NR1H2NR1H3MMP2CA12CA1
SCHEMBL30638141 0.87 MMP2 (0.52) NR1H2NR1H3MMP2CA12CA1
SCHEMBL12267638 0.85 CA12 (0.42) NR1H2NR1H3MMP2CA12CA1
SCHEMBL13128283 0.83 MEN1 (0.48) NR1H2NR1H3MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 — — US disclosed
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 — — US disclosed
EP-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 — — EP 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-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NR1H2 2730/4885NR1H3 3000/4885MMP2 1902/4885

“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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