SCHEMBL13436087

SCHEMBL13436087

COC(=O)C1C[C@H](N=[N+]=[N-])[C@@H](OCCOC2CCCCO2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP2 P08253 1/20 0.31
▸ ANPEP P15144 1/20 0.31

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
SCHEMBL13462003 0.86 MEN1 (0.36) MEN1KMT2A
SCHEMBL13436086 0.80 MEN1 (0.38) MEN1KMT2A
SCHEMBL13436067 0.76 MMP2 (0.38) MMP2ANPEP
SCHEMBL13436083 0.76 MMP2 (0.36) MMP2ANPEP
SCHEMBL13436061 0.73 MMP2 (0.41) MMP2ANPEP
SCHEMBL13436064 0.72 MMP2 (0.35) MMP2ANPEP
SCHEMBL13696040 0.71 CHRNB2 (0.47) MMP2ANPEP
SCHEMBL24290062 0.67 CHRNB2 (0.38) MEN1KMT2A
SCHEMBL15796255 0.67 MMP2 (0.42) MMP2ANPEP
SCHEMBL31664512 0.67 MMP2 (0.42) MMP2ANPEP

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-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 MEN1 680/4885KMT2A 2600/4885MMP2 209/4885

“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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