SCHEMBL1248588

SCHEMBL1248588

CCOC(=O)CCc1ccc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.67
▸ PRSS12 P56730 1/20 0.48
▸ HPSE Q9Y251 1/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ NR2E3 Q9Y5X4 2/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL1248779 0.87 DGAT1 (0.74) DGAT1PRSS12ITGB1ITGA4ITGB7
SCHEMBL1248994 0.87 DGAT1 (0.73) DGAT1PRSS12ITGB1ITGA4ITGB7
SCHEMBL1251104 0.86 DGAT1 (0.79) DGAT1PRSS12ITGB1ITGA4ITGB7
SCHEMBL11410244 0.85 DGAT1 (0.66) DGAT1PRSS12HPSEITGB1ITGA4
SCHEMBL1250132 0.84 DGAT1 (0.66) DGAT1HPSENR2E3MMP2MMP9
SCHEMBL1250133 0.84 DGAT1 (0.66) DGAT1HPSENR2E3MMP2MMP9
SCHEMBL1251539 0.83 DGAT1 (0.84) DGAT1NR2E3MMP2MMP9MMP8
SCHEMBL1248774 0.81 DGAT1 (1.00) DGAT1PRSS12NR2E3CYP3A4HDAC6
SCHEMBL1250312 0.81 DGAT1 (0.79) DGAT1PRSS12NR2E3HDAC6CHEK2
SCHEMBL1249930 0.80 DGAT1 (0.85) DGAT1PRSS12HPSEITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
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-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — 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 (2 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885PRSS12 4183/4885HPSE 3357/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885PRSS12 3478/4885HPSE 1082/4885

“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.

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