SCHEMBL16997608

SCHEMBL16997608

Nc1ncnc2c1C(=O)C(c1ccc3c(c1)CCN(CC(=O)O)C3=O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.46
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44

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
SCHEMBL16997607 0.89 AOC3 (0.46) DGAT1
SCHEMBL14060367 0.81 DGAT1 (0.59) DGAT1
SCHEMBL15522090 0.80 DGAT1 (0.42) DGAT1
SCHEMBL16997606 0.79 AOC3 (0.44) DGAT1ITGB3ITGA2B
SCHEMBL17875326 0.74 DGAT1 (0.43) DGAT1ITGB3ITGA2B
SCHEMBL14136851 0.73 DGAT1 (0.51) DGAT1ITGB3ITGA2B
SCHEMBL14061910 0.70 DGAT1 (0.54) DGAT1
SCHEMBL17921224 0.69 DGAT1 (0.61) DGAT1
SCHEMBL14061670 0.68 DGAT1 (0.60) DGAT1
SCHEMBL14061865 0.67 DGAT1 (0.58) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-13 US disclosed
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-13 US 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-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885ITGB3 3896/4885ITGA2B 3648/4885

“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.