SCHEMBL13128283

SCHEMBL13128283

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ MMP2 P08253 3/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ WNT3 P56703 2/20 0.41
▸ SFRP1 Q8N474 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL2812403 0.91 MEN1 (0.49) MEN1KMT2ANR1H2MMP2DRD2
SCHEMBL16174305 0.88 MMP2 (0.46) NR1H2NR1H3MMP2ANPEPWNT3
SCHEMBL30638141 0.85 MMP2 (0.52) NR1H2NR1H3MMP2ANPEPCA1
SCHEMBL9507059 0.83 NR1H2 (0.50) NR1H2NR1H3MMP2WNT3SFRP1
SCHEMBL9506253 0.83 NR1H2 (0.50) NR1H2NR1H3MMP2WNT3SFRP1
SCHEMBL9503295 0.80 NR1H2 (0.48) MEN1KMT2ANR1H2NR1H3MMP2
SCHEMBL13106876 0.80 NR1H2 (0.48) MEN1KMT2ANR1H2NR1H3MMP2
SCHEMBL4502392 0.80 MEN1 (0.58) MEN1KMT2AMMP2DRD2ADRA1D
SCHEMBL2011423 0.79 MEN1 (0.53) MEN1KMT2ANR1H2MMP2DRD2
SCHEMBL9006094 0.79 STS (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MEN1 4723/4885KMT2A 3834/4885NR1H2 381/4885

“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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