SCHEMBL3740642

SCHEMBL3740642

COC(=O)CC(=O)OC(C)(C)C.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MGAM O43451 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
DGAT1 O75907 1/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TSHR P16473 4/20 0.43
HSD17B10 Q99714 1/20 0.40
TET2 Q6N021 1/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL332199 0.97 GAA (0.48) GAAMGAMSIMGAM2DGAT1
SCHEMBL11393379 0.95 GAA (0.46) GAAMGAMSIMGAM2DGAT1
SCHEMBL4618321 0.95 GAA (0.46) GAAMGAMSIMGAM2DGAT1
SCHEMBL28316203 0.90 DGAT1 (0.42) GAAMGAMSIMGAM2DGAT1
SCHEMBL241533 0.89 DGAT1 (0.46) GAAMGAMSIMGAM2DGAT1
Methyl Alcohol SCHEMBL27995686 0.87 DGAT1 (0.44) GAAMGAMSIMGAM2DGAT1
SCHEMBL19520545 0.86 MGAM (0.68) GAAMGAMSIMGAM2DGAT1
SCHEMBL7995128 0.85 GAA (0.60) GAAMGAMSIMGAM2DGAT1
Malonic Acid Diethyl Ester SCHEMBL6251730 0.85 GAA (0.60) GAAMGAMSIMGAM2DGAT1
SCHEMBL1924739 0.83 DGAT1 (0.38) GAAMGAMSIMGAM2DGAT1

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-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 GAA 3039/4885MGAM 3943/4885SI 3554/4885

“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.