SCHEMBL3169776

SCHEMBL3169776

Cc1cc(OC[C@@H](O)CO)cc(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.56
HDAC3 O15379 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
CHEK2 O96017 5/20 0.47
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A2 P43354 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3169783 1.00 DGAT1 (0.56) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3169760 1.00 DGAT1 (0.56) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1250199 0.85 DGAT1 (0.76) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1250268 0.85 DGAT1 (0.76) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1251678 0.82 CYP3A4 (0.70) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3162726 0.82 DGAT1 (0.61) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3167982 0.81 DGAT1 (0.68) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1250566 0.81 DGAT1 (0.63) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3171341 0.80 DGAT1 (0.62) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3175814 0.80 DGAT1 (0.59) DGAT1HDAC3HDAC7HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885HDAC3 176/4885HDAC7 666/4885

“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.