SCHEMBL2993765

SCHEMBL2993765

COC(=O)C1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.47
MMP2 P08253 2/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
GALR3 O60755 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL13245959 1.00 MAPT (0.62) MAPTPOLBNAMPTMMP2F2
SCHEMBL30267353 0.83 ALDH1A1 (0.47) MAPTPOLBMMP2MEN1ALDH1A1
SCHEMBL2148897 0.82 CA2 (0.53) MAPTPOLBMMP2F2PRSS1
SCHEMBL15152644 0.82 L3MBTL1 (0.47) MAPTPOLBF2PRSS1PRSS2
SCHEMBL2989019 0.82 PKM (0.46) MAPTMMP2F2PRSS1PRSS2
SCHEMBL13245962 0.82 PKM (0.46) MAPTMMP2F2PRSS1PRSS2
SCHEMBL15152645 0.82 L3MBTL1 (0.47) MAPTPOLBF2PRSS1PRSS2
SCHEMBL31200207 0.80 MAPT (0.54) MAPTPOLBNAMPTMMP2F2
SCHEMBL14345167 0.80 PKM (0.44) MAPTMMP2ALDH1A1PKMCA1
SCHEMBL1869601 0.79 PKM (0.70) MAPTPOLBALDH1A1KMT2APKM

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
US-20100173958-A1 COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY ASTRAZENECA AB (SE) 2010-07-08 US disclosed
EP-2032547-A1 COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007141545-A1 COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY ASTRAZENECA AB (SE) 2007-12-13 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-20100173958-A1 COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY DGAT1, DGAT2, ACAT2 MAPT 1950/4885POLB 1547/4885NAMPT 324/4885

“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.