SCHEMBL2989019

SCHEMBL2989019

COC(=O)C1CCC(S(=O)(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
DHFR P00374 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP13 P45452 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
SCHEMBL13245962 1.00 PKM (0.46) PKMCA1CA2CA12CA4
SCHEMBL30267353 0.87 ALDH1A1 (0.47) PKMMAPTALDH1A1CYP2C19MMP2
SCHEMBL15152645 0.85 L3MBTL1 (0.47) PKMCA1CA2CA4CA7
SCHEMBL15152644 0.85 L3MBTL1 (0.47) PKMCA1CA2CA4CA7
SCHEMBL14345167 0.83 PKM (0.44) PKMCA1CA2CA12CA4
SCHEMBL13245959 0.82 MAPT (0.62) PKMCA1CA2F2PRSS1
SCHEMBL2993765 0.82 MAPT (0.62) PKMCA1CA2F2PRSS1
SCHEMBL2149410 0.80 TSHR (0.52) PKMCA1CA2CA12CA4
SCHEMBL13245960 0.80 KDM4E (0.44) PKMTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL2986017 0.80 KDM4E (0.44) PKMTSHRSMN1; SMN2MAPTALDH1A1

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 PKM 2371/4885CA1 2971/4885CA2 2741/4885

“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.