SCHEMBL2998007

SCHEMBL2998007

C=CC(OS(C)(=O)=O)C(C(=O)OCC)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 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
SCHEMBL12200405 0.76 ALDH1A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL9752617 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL2984138 0.73 ALDH1A1 (0.34) ALDH1A1ALOX15
SCHEMBL9054019 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AALOX15
SCHEMBL235785 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AALOX15
SCHEMBL38652375 0.71 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL3395531 0.70 ALDH1A1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL2329267 0.70 ALDH1A1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL6682528 0.70 ALDH1A1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL27679077 0.69 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
EP-2173698-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF RENIN INHIBITORS SUCH AS ALISKIREN Novartis Ag (CH) 2010-04-14 EP disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 WO 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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 CA12 1336/4885CA1 2853/4885CA2 3168/4885

“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.